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

Systemtic Name: methyl 2-[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethyl]thio]acetic acid methyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSCC(=O)OC)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSCC(=O)OC)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H24N2O4S/c1-30-21-11-9-18(10-12-21)23-14-22(20-8-7-17-5-3-4-6-19(17)13-20)26-27(23)24(28)15-32-16-25(29)31-2/h3-13,23H,14-16H2,1-2H3