3-[(4-methylcyclohexyl)carbonyl-(1-oxidanylidenethian-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(1-oxidanylidenethian-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(1-oxothian-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(1-oxo-4-thianyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(1-oxothian-4-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-ketothian-4-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C24H29NO4S2 MolecularWeight: 459.62136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCS(=O)CC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCS(=O)CC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H29NO4S2/c1-16-7-9-18(10-8-16)23(26)25(19-11-13-31(29)14-12-19)20-15-21(30-22(20)24(27)28)17-5-3-2-4-6-17/h2-6,15-16,18-19H,7-14H2,1H3,(H,27,28)