(3R,4S)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-oxidanyl-cyclopentan-1-one

Systemtic Name: (3R,4S)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-oxidanyl-cyclopentan-1-one Openeye Name: (3R,4S)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-hydroxy-cyclopentanone CAS Name: (3R,4S)-3-[(3,4-dimethoxyphenyl)methylthio]-4-hydroxy-1-cyclopentanone IUPAC Name: (3R,4S)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-hydroxycyclopentan-1-one Traditional Name: (3S,4R)-3-hydroxy-4-(veratrylthio)cyclopentanone Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2CC(=O)CC2O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CS[C@@H]2CC(=O)C[C@@H]2O)OC

InChI

InChI=1S/C14H18O4S/c1-17-12-4-3-9(5-13(12)18-2)8-19-14-7-10(15)6-11(14)16/h3-5,11,14,16H,6-8H2,1-2H3/t11-,14+/m0/s1