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

Systemtic Name: 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-(thian-4-yl)amino]thiophene-2-carboxylic acid Openeye Name: 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-tetrahydrothiopyran-4-yl-amino]thiophene-2-carboxylic acid CAS Name: 5-(1-cyclohexenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-(4-thianyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(thian-4-yl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-tetrahydrothiopyran-4-yl-amino]-2-thenoic acid Formula: C24H33NO3S2 MolecularWeight: 447.65372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCSCC2)C3=C(SC(=C3)C4=CCCCC4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCSCC2)C3=C(SC(=C3)C4=CCCCC4)C(=O)O

InChI

InChI=1S/C24H33NO3S2/c1-16-7-9-18(10-8-16)23(26)25(19-11-13-29-14-12-19)20-15-21(30-22(20)24(27)28)17-5-3-2-4-6-17/h5,15-16,18-19H,2-4,6-14H2,1H3,(H,27,28)