9587374 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 17 17 16 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 6 6 6 7 8 8 8 9 9 9 10 10 11 11 13 14 14 16 16 17 17 19 19 20 13 15 16 20 7 18 18 12 26 27 12 9 10 11 12 21 22 13 23 14 24 15 15 25 17 18 19 28 20 29 30 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 7 -1 4 12 9 6 2 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 2 3.732 7.2437 5.4641 4.5981 5.4641 4.5981 3.732 3.732 2.866 4.5981 4.5981 2.866 4.5981 3.732 6.3301 6.4347 5.4641 7.4128 7.9128 3.52 3.1215 2.3291 5.135 5.135 6.001 5.4641 5.9739 7.665 8.5294 -3.3512 -4.3512 2.742 1.6488 3.1488 -0.3512 1.1488 -1.3512 -0.3512 -1.8512 -1.8512 0.1488 -2.8512 -2.8512 -3.3512 3.1488 4.1433 2.6488 4.3512 3.4852 0.2314 -0.4589 -1.5412 -1.5412 -3.1612 -0.0412 -0.9712 4.5582 4.9176 3.4204 8 8 8 8 8 8 8 8 8 8 8 3 3 8 8 10 11 13 14 16 17 19 16 20 10 11 13 14 15 15 17 19 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 381 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073300046000000000000000000000000012000000030000000000000000001C000001E06140000000C0285D820B10980500008AC0222F22800030080240D10488A59300AC8082632A1971180310024D0012889879880800E04000020000000040800004000000008000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(Z)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] thiophene-2-carboxylate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-thiophenecarboxylic acid [(Z)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(<I>Z</I>)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] thiophene-2-carboxylate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(Z)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] thiophene-2-carboxylate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(Z)-[1-azanyl-2-(3,4-dichlorophenyl)ethylidene]amino] thiophene-2-carboxylate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 thiophene-2-carboxylic acid [(Z)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C13H10Cl2N2O2S/c14-9-4-3-8(6-10(9)15)7-12(16)17-19-13(18)11-2-1-5-20-11/h1-6H,7H2,(H2,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MXWMURAWIXCINV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.9840041 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H10Cl2N2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CSC(=C1)C(=O)ON=C(CC2=CC(=C(C=C2)Cl)Cl)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CSC(=C1)C(=O)O/N=C(/CC2=CC(=C(C=C2)Cl)Cl)\N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 92.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.9840041 20 0 0 0 1 1 0 0 1 -1