3-[3-(4-chlorophenyl)-4-(3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-chlorophenyl)-4-(3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(4-chlorophenyl)-4-[3-oxo-3-(2-thienyl)prop-1-enyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(4-chlorophenyl)-4-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(4-chlorophenyl)-4-(3-oxo-3-thiophen-2-ylprop-1-enyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(4-chlorophenyl)-4-[3-keto-3-(2-thienyl)prop-1-enyl]pyrazol-1-yl]propionic acid Formula: C19H15ClN2O3S MolecularWeight: 386.852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Cl)CCC(=O)O

InChI

InChI=1S/C19H15ClN2O3S/c20-15-6-3-13(4-7-15)19-14(12-22(21-19)10-9-18(24)25)5-8-16(23)17-2-1-11-26-17/h1-8,11-12H,9-10H2,(H,24,25)