5-[(6R)-6-methylcyclohexen-1-yl]-3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylidenecyclohexyl)amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[(6R)-6-methylcyclohexen-1-yl]-3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylidenecyclohexyl)amino]thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(4-oxocyclohexyl)amino]-5-[(6R)-6-methylcyclohexen-1-yl]thiophene-2-carboxylic acid CAS Name: 5-[(6R)-6-methyl-1-cyclohexenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-(4-oxocyclohexyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(4-oxocyclohexyl)amino]-5-[(6R)-6-methylcyclohexen-1-yl]thiophene-2-carboxylic acid Traditional Name: 3-[(4-ketocyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[(6R)-6-methylcyclohexen-1-yl]-2-thenoic acid Formula: C26H35NO4S MolecularWeight: 457.6254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCC(=O)CC2)C3=C(SC(=C3)C4=CCCCC4C)C(=O)O

Isomeric SMILES

C[C@@H]1CCCC=C1C2=CC(=C(S2)C(=O)O)N(C3CCC(=O)CC3)C(=O)C4CCC(CC4)C

InChI

InChI=1S/C26H35NO4S/c1-16-7-9-18(10-8-16)25(29)27(19-11-13-20(28)14-12-19)22-15-23(32-24(22)26(30)31)21-6-4-3-5-17(21)2/h6,15-19H,3-5,7-14H2,1-2H3,(H,30,31)/t16?,17-,18?/m1/s1