methyl 2-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(o-tolyl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2-methylphenyl)-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-methylphenyl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(o-tolyl)ethyl]thio]acetic acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CSCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)CSCC(=O)OC

InChI

InChI=1S/C12H14O3S/c1-9-5-3-4-6-10(9)11(13)7-16-8-12(14)15-2/h3-6H,7-8H2,1-2H3