(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N2O4S/c22-13-16-5-7-17(8-6-16)15-28-19-4-2-1-3-18(19)21(25)27-14-20(24)23-9-11-26-12-10-23/h1-8H,9-12,14-15H2