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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CSCC(=O)N1[C@H](CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N2O4S/c1-3-28-22(26)15-29-14-21(25)24-20(17-9-11-18(27-2)12-10-17)13-19(23-24)16-7-5-4-6-8-16/h4-12,20H,3,13-15H2,1-2H3/t20-/m1/s1