5-(4,4-dimethylcyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4,4-dimethylcyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]thiophene-2-carboxylic acid Openeye Name: 5-(4,4-dimethylcyclohexen-1-yl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(4,4-dimethyl-1-cyclohexenyl)-3-[(4-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4,4-dimethylcyclohexen-1-yl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(4,4-dimethylcyclohexen-1-yl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C27H39NO4S MolecularWeight: 473.66786

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C4=CCC(CC4)(C)C)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C4=CCC(CC4)(C)C)C(=O)O

InChI

InChI=1S/C27H39NO4S/c1-17-4-6-19(7-5-17)25(30)28(20-8-10-21(29)11-9-20)22-16-23(33-24(22)26(31)32)18-12-14-27(2,3)15-13-18/h12,16-17,19-21,29H,4-11,13-15H2,1-3H3,(H,31,32)