methyl 3-[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(4-cyanoanilino)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(4-cyanoanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SCCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)SCCC(=O)OC

InChI

InChI=1S/C14H16N2O3S/c1-10(20-8-7-13(17)19-2)14(18)16-12-5-3-11(9-15)4-6-12/h3-6,10H,7-8H2,1-2H3,(H,16,18)