53815869 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 16 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 15 16 16 17 18 19 19 20 20 21 21 22 23 23 25 8 11 24 25 7 9 10 24 25 43 8 26 27 28 29 12 13 30 31 32 15 16 19 33 20 34 17 18 21 17 35 18 36 37 38 22 39 22 40 23 41 42 24 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 21 14 41 23 1 24 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 6.3776 4.5981 4.8255 8.0413 2.866 6.5468 3.732 3.732 2.866 2 4.5981 3.732 2 4.5981 5.4641 3.732 5.4641 3.732 3.732 2 4.5981 2.866 5.4641 5.5686 7.0468 3.9441 4.3426 3.52 3.1215 2.31 1.4631 1.69 4.269 1.4631 6.001 3.1951 6.001 3.1951 4.269 1.4631 4.0611 2.866 6.799 3.4588 -0.6344 5.5292 4.0975 -2.6344 5.068 -2.1344 -1.1344 -3.6344 -2.1344 0.3656 -4.1344 -4.1344 2.3656 0.8656 0.8656 1.8656 1.8656 -5.1344 -5.1344 3.3656 -5.6344 3.8656 4.8601 4.202 -2.717 -2.0268 -0.5518 -1.2421 -1.5975 -1.8244 -2.6714 -3.8244 -3.8244 0.5556 0.5556 2.1756 2.1756 -5.4444 -5.4444 3.6756 -6.2544 5.6344 8 8 8 8 8 8 8 8 8 8 8 8 1 9 9 11 11 12 13 14 14 15 16 19 20 21 12 13 15 16 19 20 17 18 17 18 22 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 509 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3000400000000000000000000000000160000000306000000000000000014000001E04100000000C0CE1D80632C683C004088802255250008208006122100888000E6CC80E2622C4B19B873828E4C431D8E98790C0000E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methylene]thiazolidine-2,4-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methylidene]thiazolidine-2,4-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[4-[2-(<I>N</I>-methylanilino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[4-[2-[methyl(phenyl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-[2-(N-methylanilino)ethoxy]benzylidene]thiazolidine-2,4-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H18N2O3S/c1-21(15-5-3-2-4-6-15)11-12-24-16-9-7-14(8-10-16)13-17-18(22)20-19(23)25-17/h2-10,13H,11-12H2,1H3,(H,20,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FSHICLWECZHNLR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 354.10381361 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H18N2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 354.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(CCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)S2)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(CCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)S2)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 83.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 354.10381361 25 0 0 0 1 0 1 0 1 -1