S-[(1R,2R)-2-morpholin-4-ylcyclohexyl] 2-(3,4-dimethoxyphenyl)ethanethioate

Systemtic Name: S-[(1R,2R)-2-morpholin-4-ylcyclohexyl] 2-(3,4-dimethoxyphenyl)ethanethioate Openeye Name: S-[(1R,2R)-2-morpholinocyclohexyl] 2-(3,4-dimethoxyphenyl)ethanethioate CAS Name: 2-(3,4-dimethoxyphenyl)ethanethioic acid S-[(1R,2R)-2-(4-morpholinyl)cyclohexyl] ester IUPAC Name: S-[(1R,2R)-2-morpholin-4-ylcyclohexyl] 2-(3,4-dimethoxyphenyl)ethanethioate Traditional Name: 2-(3,4-dimethoxyphenyl)ethanethioic acid S-[(1R,2R)-2-morpholinocyclohexyl] ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)SC2CCCCC2N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)S[C@@H]2CCCC[C@H]2N3CCOCC3)OC

InChI

InChI=1S/C20H29NO4S/c1-23-17-8-7-15(13-18(17)24-2)14-20(22)26-19-6-4-3-5-16(19)21-9-11-25-12-10-21/h7-8,13,16,19H,3-6,9-12,14H2,1-2H3/t16-,19-/m1/s1