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

Systemtic Name: methyl 3-[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl]thio]propionic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-27-18-10-8-17(9-11-18)20-14-19(16-6-4-3-5-7-16)23-24(20)21(25)15-29-13-12-22(26)28-2/h3-11,20H,12-15H2,1-2H3/t20-/m1/s1