4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid Openeye Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid CAS Name: 4-[1-(4-chlorophenyl)-4-pyrazolyl]-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid Traditional Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(hydrocinnamoylamino)-3-thenoic acid Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CN(N=C3)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CN(N=C3)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H18ClN3O3S/c24-17-7-9-18(10-8-17)27-13-16(12-25-27)19-14-31-22(21(19)23(29)30)26-20(28)11-6-15-4-2-1-3-5-15/h1-5,7-10,12-14H,6,11H2,(H,26,28)(H,29,30)