4-[3-[4-(3-cyanophenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-[3-[4-(3-cyanophenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid Openeye Name: 4-[3-[4-(3-cyanophenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid CAS Name: 4-[[3-[4-(3-cyanophenyl)phenyl]-1-oxopropyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-[3-[4-(3-cyanophenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid Traditional Name: 4-[3-[4-(3-cyanophenyl)phenyl]propanoylamino]-3-thenoic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=CC=C(C=C2)CCC(=O)NC3=CSC=C3C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=CC=C(C=C2)CCC(=O)NC3=CSC=C3C(=O)O)C#N

InChI

InChI=1S/C21H16N2O3S/c22-11-15-2-1-3-17(10-15)16-7-4-14(5-8-16)6-9-20(24)23-19-13-27-12-18(19)21(25)26/h1-5,7-8,10,12-13H,6,9H2,(H,23,24)(H,25,26)