methyl 4-(2-ethanoylsulfanylpropanoylamino)benzoate

Systemtic Name: methyl 4-(2-ethanoylsulfanylpropanoylamino)benzoate Openeye Name: methyl 4-(2-acetylsulfanylpropanoylamino)benzoate CAS Name: 4-[[2-(acetylthio)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-acetylsulfanylpropanoylamino)benzoate Traditional Name: 4-[2-(acetylthio)propanoylamino]benzoic acid methyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC(=O)C

InChI

InChI=1S/C13H15NO4S/c1-8(19-9(2)15)12(16)14-11-6-4-10(5-7-11)13(17)18-3/h4-8H,1-3H3,(H,14,16)