[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=C(C=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=C(C=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO3S/c1-14-3-7-16(8-4-14)18-11-12-26-20(18)21(24)25-13-19(23)22-17-9-5-15(2)6-10-17/h3-4,7-8,11-12,15,17H,5-6,9-10,13H2,1-2H3,(H,22,23)