methyl 3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-oxo-2-(p-tolyl)ethyl]sulfanylpropanoate CAS Name: 3-[[2-(4-methylphenyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(p-tolyl)ethyl]thio]propionic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSCCC(=O)OC

InChI

InChI=1S/C13H16O3S/c1-10-3-5-11(6-4-10)12(14)9-17-8-7-13(15)16-2/h3-6H,7-9H2,1-2H3