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

Systemtic Name: methyl 2-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]sulfanylacetate CAS Name: 2-[[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]thio]acetic acid methyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSCC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSCC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C19H20N2O3S2/c1-13-5-7-14(8-6-13)16-10-15(17-4-3-9-26-17)20-21(16)18(22)11-25-12-19(23)24-2/h3-9,16H,10-12H2,1-2H3