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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylidenecyclohexyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(4-oxocyclohexyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(4-oxocyclohexyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(4-oxocyclohexyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-ketocyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCC(=O)CC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC(=O)CC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H29NO4S/c1-16-7-9-18(10-8-16)24(28)26(19-11-13-20(27)14-12-19)21-15-22(31-23(21)25(29)30)17-5-3-2-4-6-17/h2-6,15-16,18-19H,7-14H2,1H3,(H,29,30)