methyl 3-[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-(3-chlorophenyl)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C13H15ClO3S MolecularWeight: 286.7744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)SCCC(=O)OC

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)SCCC(=O)OC

InChI

InChI=1S/C13H15ClO3S/c1-9(18-7-6-12(15)17-2)13(16)10-4-3-5-11(14)8-10/h3-5,8-9H,6-7H2,1-2H3