[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)N4CCOCC4

InChI

InChI=1S/C23H31N3O4S/c27-20(24-17-23(10-4-1-5-11-23)26-12-14-29-15-13-26)16-30-22(28)9-8-21-25-18-6-2-3-7-19(18)31-21/h2-3,6-7H,1,4-5,8-17H2,(H,24,27)