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

Systemtic Name: 5-(4-cyanophenyl)-3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]thiophene-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-3-[(4-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C26H30N2O4S MolecularWeight: 466.5924

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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#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4S/c1-16-2-6-19(7-3-16)25(30)28(20-10-12-21(29)13-11-20)22-14-23(33-24(22)26(31)32)18-8-4-17(15-27)5-9-18/h4-5,8-9,14,16,19-21,29H,2-3,6-7,10-13H2,1H3,(H,31,32)