5-(4-ethanoylphenyl)-3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-ethanoylphenyl)-3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]thiophene-2-carboxylic acid Openeye Name: 5-(4-acetylphenyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(4-acetylphenyl)-3-[(4-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-acetylphenyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(4-acetylphenyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C27H33NO5S MolecularWeight: 483.61962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO5S/c1-16-3-5-20(6-4-16)26(31)28(21-11-13-22(30)14-12-21)23-15-24(34-25(23)27(32)33)19-9-7-18(8-10-19)17(2)29/h7-10,15-16,20-22,30H,3-6,11-14H2,1-2H3,(H,32,33)