3-[(4-methylcyclohexyl)carbonyl-(7-oxidanylideneazepan-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(7-oxidanylideneazepan-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(7-oxoazepan-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(7-oxo-4-azepanyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(7-oxoazepan-4-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(7-ketoazepan-4-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCC(=O)NCC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC(=O)NCC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H30N2O4S/c1-16-7-9-18(10-8-16)24(29)27(19-11-12-22(28)26-14-13-19)20-15-21(32-23(20)25(30)31)17-5-3-2-4-6-17/h2-6,15-16,18-19H,7-14H2,1H3,(H,26,28)(H,30,31)