[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)CCC2=CSC=C2)N3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)CCC2=CSC=C2)N3CCOCC3

InChI

InChI=1S/C20H30N2O4S/c23-18(14-26-19(24)5-4-17-6-13-27-15-17)21-16-20(7-2-1-3-8-20)22-9-11-25-12-10-22/h6,13,15H,1-5,7-12,14,16H2,(H,21,23)