4-[(3R)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-3-(2-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5R)-5-(2-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]butyrate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-24-15-6-3-2-5-12(15)14-11-13(16-7-4-10-25-16)19-20(14)17(21)8-9-18(22)23/h2-7,10,14H,8-9,11H2,1H3,(H,22,23)/p-1/t14-/m1/s1