7048505 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 16 8 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 3 -1 1 1 2 2 3 4 5 6 6 6 7 7 7 8 8 9 11 11 11 12 12 12 14 15 16 16 17 17 18 9 10 15 18 13 13 14 10 14 22 8 9 11 10 13 12 19 20 21 23 24 25 15 16 17 26 18 27 28 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 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 5.3122 6.1783 2 2.5352 6.2353 4.5032 4.0032 3.6942 5.0032 4.5032 3.4154 5.591 2.7431 5.3692 5.3692 4.5602 4.8692 5.8692 2.9138 3.051 3.917 3.9663 5.0894 5.9554 6.0926 3.9706 4.5048 6.2337 -1.4333 2.2423 -1.7934 -0.1461 0.1545 0.1545 -2.3843 -1.4333 -2.3843 -0.8455 -3.1934 -3.1934 -1.1243 0.6545 1.6545 2.2423 3.1934 3.1934 -2.8289 -3.6949 -3.5578 0.4645 -3.5578 -3.6949 -2.8289 2.0507 3.6949 3.6949 8 8 8 8 8 8 8 8 8 8 1 1 2 2 7 7 8 15 16 17 9 10 15 18 8 9 10 16 17 18 -1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 344 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C072380040000000000000000000000000012240000000000000000000000001E000001E04100000000C04A1D802328D82C004488C02A9D2D802830880652819088811C64CC80E263AE4B5BF8719A8E6C411F8E9C69817020E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(furan-2-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(furan-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(furan-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(furan-2-ylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-furoylamino)-4,5-dimethyl-3-thenoate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H11NO4S/c1-6-7(2)18-11(9(6)12(15)16)13-10(14)8-4-3-5-17-8/h3-5H,1-2H3,(H,13,14)(H,15,16)/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WSOKASHHJIMBSX-UHFFFAOYSA-M Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.03305397 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H10NO4S- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(SC(=C1C(=O)[O-])NC(=O)C2=CC=CO2)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(SC(=C1C(=O)[O-])NC(=O)C2=CC=CO2)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 111 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.03305397 18 0 0 0 0 0 0 0 1 -1