[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C22H32N2O4S MolecularWeight: 420.56548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3

InChI

InChI=1S/C22H32N2O4S/c1-18-7-3-4-8-19(18)29-16-21(26)28-15-20(25)23-17-22(9-5-2-6-10-22)24-11-13-27-14-12-24/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,23,25)