4-(4-methoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: 4-(4-methoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: 4-(4-methoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylate IUPAC Name: 4-(4-methoxyphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-(4-methoxyphenyl)-3-thenoate Formula: C21H18NO4S- MolecularWeight: 380.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)[O-])NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)[O-])NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S/c1-26-16-10-8-15(9-11-16)17-13-27-20(19(17)21(24)25)22-18(23)12-7-14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,22,23)(H,24,25)/p-1