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

Systemtic Name: 5-(4-methylcyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-methylcyclohexen-1-yl)thiophene-2-carboxylic acid CAS Name: 5-(4-methyl-1-cyclohexenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(4-methylcyclohexen-1-yl)thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(4-methylcyclohexen-1-yl)-2-thenoic acid Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CCC(CC3)C)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CCC(CC3)C)C(=O)O)C(C)C

InChI

InChI=1S/C23H33NO3S/c1-14(2)24(22(25)18-11-7-16(4)8-12-18)19-13-20(28-21(19)23(26)27)17-9-5-15(3)6-10-17/h9,13-16,18H,5-8,10-12H2,1-4H3,(H,26,27)