4-[(3R)-3-(3-methoxy-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3R)-3-(3-methoxy-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3R)-3-(2-hydroxy-3-methoxy-phenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3R)-3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3R)-3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[(5R)-5-(2-hydroxy-3-methoxy-phenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1O)[C@H]2CC(=NN2C(=O)CCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O5S/c1-25-14-5-2-4-11(18(14)24)13-10-12(15-6-3-9-26-15)19-20(13)16(21)7-8-17(22)23/h2-6,9,13,24H,7-8,10H2,1H3,(H,22,23)/t13-/m1/s1