methyl 3-[(4-cyanophenyl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(4-cyanophenyl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(4-cyanobenzoyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[(4-cyanophenyl)-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(4-cyanobenzoyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(4-cyanobenzoyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)C#N

InChI

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