3-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-oxo-3-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]propanoic acid CAS Name: 3-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-3-oxopropanoic acid IUPAC Name: 3-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]propionic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CC(=O)O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C17H16N2O3S/c1-11-4-6-12(7-5-11)14-9-13(15-3-2-8-23-15)18-19(14)16(20)10-17(21)22/h2-8,14H,9-10H2,1H3,(H,21,22)