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

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3

InChI

InChI=1S/C22H32N2O4S/c1-2-29-19-9-5-4-8-18(19)21(26)28-16-20(25)23-17-22(10-6-3-7-11-22)24-12-14-27-15-13-24/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,23,25)