[(1S,2R)-2-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-oxidanylidene-cyclohexyl] ethanoate

Systemtic Name: [(1S,2R)-2-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-oxidanylidene-cyclohexyl] ethanoate Openeye Name: [(1S,2R)-2-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-oxo-cyclohexyl] acetate CAS Name: acetic acid [(1S,2R)-2-[(3,4-dimethoxyphenyl)methylthio]-4-oxocyclohexyl] ester IUPAC Name: [(1S,2R)-2-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-oxocyclohexyl] acetate Traditional Name: acetic acid [(1S,2R)-4-keto-2-(veratrylthio)cyclohexyl] ester Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(=O)CC1SCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)O[C@H]1CCC(=O)C[C@H]1SCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H22O5S/c1-11(18)22-15-7-5-13(19)9-17(15)23-10-12-4-6-14(20-2)16(8-12)21-3/h4,6,8,15,17H,5,7,9-10H2,1-3H3/t15-,17+/m0/s1