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

Systemtic Name: 4-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(3-methoxyphenyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-(3-methoxyphenyl)-5-(2-thienyl)-2-pyrazolin-1-yl]butyric acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O

InChI

InChI=1S/C18H18N2O4S/c1-24-13-5-2-4-12(10-13)14-11-15(16-6-3-9-25-16)20(19-14)17(21)7-8-18(22)23/h2-6,9-10,15H,7-8,11H2,1H3,(H,22,23)