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

Systemtic Name: [2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-(2-methylmorpholin-4-yl)-2-oxo-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-(2-methyl-4-morpholinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [2-keto-2-(2-methylmorpholino)ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1CN(CCO1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N2O4S/c1-16-13-24(10-11-27-16)21(25)14-28-22(26)19-4-2-3-5-20(19)29-15-18-8-6-17(12-23)7-9-18/h2-9,16H,10-11,13-15H2,1H3