methyl 2-(2-cyanoethanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-cyanoethanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(2-cyanoacetyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-cyanoacetyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-cyanoacetyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC#N

InChI

InChI=1S/C16H14N2O3S/c1-10-3-5-11(6-4-10)12-9-22-15(14(12)16(20)21-2)18-13(19)7-8-17/h3-6,9H,7H2,1-2H3,(H,18,19)