2-(4-chlorophenyl)sulfanylethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C18H15ClN2O3S MolecularWeight: 374.8413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCSC2=CC=C(C=C2)Cl)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCSC2=CC=C(C=C2)Cl)NC(=O)CC#N

InChI

InChI=1S/C18H15ClN2O3S/c19-14-3-7-16(8-4-14)25-12-11-24-18(23)13-1-5-15(6-2-13)21-17(22)9-10-20/h1-8H,9,11-12H2,(H,21,22)