5-[(1S)-2-methylcyclohex-2-en-1-yl]-3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylidenecyclohexyl)amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[(1S)-2-methylcyclohex-2-en-1-yl]-3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylidenecyclohexyl)amino]thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(4-oxocyclohexyl)amino]-5-[(1S)-2-methylcyclohex-2-en-1-yl]thiophene-2-carboxylic acid CAS Name: 5-[(1S)-2-methyl-1-cyclohex-2-enyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-(4-oxocyclohexyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(4-oxocyclohexyl)amino]-5-[(1S)-2-methylcyclohex-2-en-1-yl]thiophene-2-carboxylic acid Traditional Name: 3-[(4-ketocyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[(1S)-2-methylcyclohex-2-en-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)C4CCCC=C4C)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC(=O)CC2)C3=C(SC(=C3)[C@H]4CCCC=C4C)C(=O)O

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/h5,15-16,18-19,21H,3-4,6-14H2,1-2H3,(H,30,31)/t16?,18?,21-/m0/s1