29678670 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 16 8 8 8 8 7 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 2 2 3 3 4 5 6 6 6 7 7 7 8 8 10 11 11 11 12 12 12 14 15 16 16 17 17 18 18 18 19 19 19 20 21 21 21 9 10 13 19 15 20 13 14 9 14 25 8 10 11 9 13 12 22 23 24 26 27 28 15 16 17 18 20 29 30 31 32 21 33 34 35 36 37 38 1 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 1 1 1 1 1 1 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 29 30 31 32 33 34 35 36 37 38 4.2601 2.894 7.5234 4.6261 6.0554 5.5202 2.9511 3.7601 4.5691 3.2601 2 2.6723 3.7601 6.2633 7.2144 8.0234 8.8324 8.0234 2.894 8.5234 2.028 2.1916 1.4103 1.8084 5.649 2.1707 2.3079 3.1739 9.422 7.4034 8.0234 8.6434 3.5046 3.1061 8.8878 2.338 1.4911 1.718 -1.8649 1.1739 -0.0139 1.1739 -2.2521 -0.6048 -0.9139 -0.3261 -0.9139 -1.8649 -0.6048 -2.6739 0.6739 -1.274 -0.965 -1.5527 -0.965 -2.5527 2.1739 -0.0139 2.6739 -0.0152 -0.4132 -1.1945 0.0016 -2.3095 -3.1755 -3.0384 -1.1565 -2.5527 -3.1727 -2.5527 2.0663 2.7565 0.4877 3.2109 2.9839 2.137 8 8 8 8 8 8 8 8 8 8 1 1 3 3 7 7 8 15 16 17 9 10 15 20 8 10 9 16 17 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 403 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E072380040000000000000000000000000012240000000000000000000000001E000001E04100000000C04A1D802328D82C004488C02A9D2D802830880652819088811C64CC80E263AE4B5BF8719A8E6C411F8E9C69817020E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 4,5-dimethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4,5-dimethyl-2-[[(3-methyl-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 4,5-dimethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 4,5-dimethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 4,5-dimethyl-2-[(3-methylfuran-2-yl)carbonylamino]thiophene-3-carboxylate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4,5-dimethyl-2-[(3-methyl-2-furoyl)amino]thiophene-3-carboxylic acid ethyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H17NO4S/c1-5-19-15(18)11-9(3)10(4)21-14(11)16-13(17)12-8(2)6-7-20-12/h6-7H,5H2,1-4H3,(H,16,17) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QPKIVDJUOKGPGN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.08782920 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H17NO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C=CO2)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C=CO2)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 96.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.08782920 21 0 0 0 0 0 0 0 1 -1