methyl 2-(2-cyanoethanoylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-cyanoethanoylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylate CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)CC#N

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)CC#N

InChI

InChI=1S/C16H14N2O3S/c1-21-16(20)13-10-12(9-11-5-3-2-4-6-11)22-15(13)18-14(19)7-8-17/h2-6,10H,7,9H2,1H3,(H,18,19)