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

Systemtic Name: 3-[3-(3-chlorophenyl)-4-[(E)-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(3-chlorophenyl)-4-[(E)-3-oxo-3-(2-thienyl)prop-1-enyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(3-chlorophenyl)-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(3-chlorophenyl)-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(3-chlorophenyl)-4-[(E)-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=CC(=CC(=C1)Cl)C2=NN(C=C2C=CC(=O)C3=CC=CS3)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NN(C=C2/C=C/C(=O)C3=CC=CS3)CCC(=O)O

InChI

InChI=1S/C19H15ClN2O3S/c20-15-4-1-3-13(11-15)19-14(12-22(21-19)9-8-18(24)25)6-7-16(23)17-5-2-10-26-17/h1-7,10-12H,8-9H2,(H,24,25)/b7-6+