4-(1-benzothiophen-3-yl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(1-benzothiophen-3-yl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(benzothiophen-3-yl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid CAS Name: 4-(1-benzothiophen-3-yl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(1-benzothiophen-3-yl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid Traditional Name: 4-(benzothiophen-3-yl)-2-(hydrocinnamoylamino)-3-thenoic acid Formula: C22H17NO3S2 MolecularWeight: 407.50528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CSC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H17NO3S2/c24-19(11-10-14-6-2-1-3-7-14)23-21-20(22(25)26)17(13-28-21)16-12-27-18-9-5-4-8-15(16)18/h1-9,12-13H,10-11H2,(H,23,24)(H,25,26)