propan-2-yl 4-aminocarbonyl-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-aminocarbonyl-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate Openeye Name: isopropyl 4-carbamoyl-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate CAS Name: 4-carbamoyl-3-methyl-5-[(1-oxo-3-phenylpropyl)amino]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-carbamoyl-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate Traditional Name: 4-carbamoyl-5-(hydrocinnamoylamino)-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CCC2=CC=CC=C2)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CCC2=CC=CC=C2)C(=O)OC(C)C

InChI

InChI=1S/C19H22N2O4S/c1-11(2)25-19(24)16-12(3)15(17(20)23)18(26-16)21-14(22)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H2,20,23)(H,21,22)