methyl 2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl]thio]acetic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-26-17-10-8-16(9-11-17)19-12-18(15-6-4-3-5-7-15)22-23(19)20(24)13-28-14-21(25)27-2/h3-11,19H,12-14H2,1-2H3