4-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid Openeye Name: 4-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid CAS Name: 4-[[3-[4-(2-cyanophenyl)phenyl]-1-oxopropyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid Traditional Name: 4-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]-3-thenoic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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