propan-2-yl 4-cyano-3-methyl-5-(2-phenylethanoylamino)thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-(2-phenylethanoylamino)thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[(1-oxo-2-phenylethyl)amino]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxylic acid isopropyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC2=CC=CC=C2)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CC2=CC=CC=C2)C(=O)OC(C)C

InChI

InChI=1S/C18H18N2O3S/c1-11(2)23-18(22)16-12(3)14(10-19)17(24-16)20-15(21)9-13-7-5-4-6-8-13/h4-8,11H,9H2,1-3H3,(H,20,21)