methyl 3-ethoxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-ethoxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-ethoxy-5-(3-phenylpropanoylamino)benzothiophene-2-carboxylate CAS Name: 3-ethoxy-5-[(1-oxo-3-phenylpropyl)amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-ethoxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-ethoxy-5-(hydrocinnamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H21NO4S/c1-3-26-19-16-13-15(10-11-17(16)27-20(19)21(24)25-2)22-18(23)12-9-14-7-5-4-6-8-14/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,22,23)