ethyl 3-[2-[(3R)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: ethyl 3-[2-[(3R)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: ethyl 3-[2-oxo-2-[(3R)-3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]sulfanylpropanoate CAS Name: 3-[[2-[(3R)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(3R)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[(5R)-5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]thio]propionic acid ethyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCSCC(=O)N1[C@H](CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N2O3S2/c1-3-26-21(25)10-12-27-14-20(24)23-18(16-8-6-15(2)7-9-16)13-17(22-23)19-5-4-11-28-19/h4-9,11,18H,3,10,12-14H2,1-2H3/t18-/m1/s1