methyl 3-[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C12H15ClN2O3S MolecularWeight: 302.7771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)SCCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)SCCC(=O)OC

InChI

InChI=1S/C12H15ClN2O3S/c1-8(19-6-5-11(16)18-2)12(17)15-10-4-3-9(13)7-14-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,17)