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

Systemtic Name: 4-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-[5-(p-tolyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]butanoic acid CAS Name: 4-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-(p-tolyl)-5-(2-thienyl)-2-pyrazolin-1-yl]butyric acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O

InChI

InChI=1S/C18H18N2O3S/c1-12-4-6-13(7-5-12)14-11-15(16-3-2-10-24-16)20(19-14)17(21)8-9-18(22)23/h2-7,10,15H,8-9,11H2,1H3,(H,22,23)