(3-cyanophenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (3-cyanophenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(pivaloylamino)thiophene-3-carboxylic acid (3-cyanobenzyl) ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=CC=CC(=C2)C#N)NC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=CC=CC(=C2)C#N)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C20H22N2O3S/c1-12-13(2)26-17(22-19(24)20(3,4)5)16(12)18(23)25-11-15-8-6-7-14(9-15)10-21/h6-9H,11H2,1-5H3,(H,22,24)