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

Systemtic Name: 4-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5S)-5-(4-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=C(C=C1)C2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-24-13-6-4-12(5-7-13)15-11-14(16-3-2-10-25-16)19-20(15)17(21)8-9-18(22)23/h2-7,10,15H,8-9,11H2,1H3,(H,22,23)/p-1/t15-/m0/s1