[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C22H31FN2O4S MolecularWeight: 438.555943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)CCSC2=CC=C(C=C2)F)N3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)CCSC2=CC=C(C=C2)F)N3CCOCC3

InChI

InChI=1S/C22H31FN2O4S/c23-18-4-6-19(7-5-18)30-15-8-21(27)29-16-20(26)24-17-22(9-2-1-3-10-22)25-11-13-28-14-12-25/h4-7H,1-3,8-17H2,(H,24,26)