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

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)N4CCOCC4

InChI

InChI=1S/C27H31N3O4S/c28-18-21-8-2-4-10-23(21)35-24-11-5-3-9-22(24)26(32)34-19-25(31)29-20-27(12-6-1-7-13-27)30-14-16-33-17-15-30/h2-5,8-11H,1,6-7,12-17,19-20H2,(H,29,31)