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

Systemtic Name: 4-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid CAS Name: 4-(1H-benzimidazol-2-yl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid Traditional Name: 4-(1H-benzimidazol-2-yl)-2-(hydrocinnamoylamino)-3-thenoic acid Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=NC4=CC=CC=C4N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=NC4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C21H17N3O3S/c25-17(11-10-13-6-2-1-3-7-13)24-20-18(21(26)27)14(12-28-20)19-22-15-8-4-5-9-16(15)23-19/h1-9,12H,10-11H2,(H,22,23)(H,24,25)(H,26,27)