(4-methylsulfanylphenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [4-(methylthio)benzyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C18H16N2O3S/c1-24-16-8-2-13(3-9-16)12-23-18(22)14-4-6-15(7-5-14)20-17(21)10-11-19/h2-9H,10,12H2,1H3,(H,20,21)