4-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[(5S)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]-4-keto-butyric acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(NN2C(=O)CCC(=O)O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C=C(NN2C(=O)CCC(=O)O)C3=CC=CS3)OC

InChI

InChI=1S/C19H20N2O5S/c1-25-15-6-5-12(10-16(15)26-2)14-11-13(17-4-3-9-27-17)20-21(14)18(22)7-8-19(23)24/h3-6,9-11,14,20H,7-8H2,1-2H3,(H,23,24)/t14-/m0/s1