[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C21H24N2O3S/c1-13(2)21(5,12-22)23-19(24)15(4)26-20(25)18-17(10-11-27-18)16-8-6-14(3)7-9-16/h6-11,13,15H,1-5H3,(H,23,24)