[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)N4CCOCC4

InChI

InChI=1S/C22H29N3O5S/c26-19(23-16-22(8-4-1-5-9-22)25-10-12-28-13-11-25)14-29-20(27)15-31-21-24-17-6-2-3-7-18(17)30-21/h2-3,6-7H,1,4-5,8-16H2,(H,23,26)