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

Systemtic Name: methyl 3-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[1-methyl-2-(2-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(2-methylanilino)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-keto-1-methyl-2-(o-toluidino)ethyl]thio]propionic acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SCCC(=O)OC

InChI

InChI=1S/C14H19NO3S/c1-10-6-4-5-7-12(10)15-14(17)11(2)19-9-8-13(16)18-3/h4-7,11H,8-9H2,1-3H3,(H,15,17)