2211811 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 44 45 46 16 16 8 8 8 8 8 7 7 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 1 1 2 3 3 4 4 5 5 6 7 8 8 8 9 9 9 10 10 10 11 11 13 14 14 14 18 18 18 19 20 20 20 21 21 21 22 22 23 23 24 24 24 25 26 26 26 12 13 17 15 20 16 21 19 25 15 16 12 17 30 17 18 33 11 13 14 12 15 16 27 28 29 19 31 32 22 24 34 35 26 37 38 23 36 25 39 40 41 42 43 44 45 46 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 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 39 40 41 42 43 44 45 46 4.5823 6.3776 3.2163 3.4013 9.5398 4.9483 2 5.8424 7.5366 3.2733 4.0823 4.8913 3.5823 2.3222 4.0823 2.9945 6.5855 8.2797 9.2308 3.2163 2.8135 10.0398 10.8488 2.3503 10.5398 3.2202 2.5138 1.7326 2.1306 5.9713 7.7912 8.5708 7.6655 3.8269 3.4283 10.0398 2.3828 2.2995 11.4385 2.6603 1.8133 2.0403 10.9042 2.6538 3.4724 3.7866 -0.5469 -0.9341 2.492 -2.2694 0.944 2.492 -1.2514 0.7132 0.3531 0.4042 0.992 0.4042 -0.5469 0.7132 1.992 -1.3559 0.0441 -0.316 -0.007 3.492 -3.0784 -0.5948 -0.007 3.992 0.944 -3.992 1.3029 0.9048 0.1236 1.3197 -0.6977 -0.8635 0.9596 3.3843 4.0746 -1.2148 -2.6324 -3.4251 -0.1986 4.5289 4.302 3.455 1.4456 -4.2442 -4.5584 -3.7398 8 8 8 8 8 8 8 8 8 8 1 1 5 5 10 10 11 19 22 23 12 13 19 25 11 13 12 22 23 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 519 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B380060000000000000000000000000012240000000000000000000000001E000001E04100000000C04E1D806338D82C004488C02A8D2C8008308806528190888918E4CC88E263AE4B5BB8719A8EEC01378E9E698370A0E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 diethyl 5-(2-furylmethylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 diethyl 5-(furan-2-ylmethylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 diethyl 5-(furan-2-ylmethylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 diethyl 5-(furan-2-ylmethylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(2-furfurylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H20N2O5S2/c1-4-22-15(20)12-10(3)13(16(21)23-5-2)26-14(12)19-17(25)18-9-11-7-6-8-24-11/h6-8H,4-5,9H2,1-3H3,(H2,18,19,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SGMPMTPTEWCMQB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 396.08136409 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H20N2O5S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 396.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=CO2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=CO2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 150 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 396.08136409 26 0 0 0 0 0 0 0 1 -1