[(2S,4R,5S,6S)-2-ethylsulfanyl-6-methyl-3-oxidanylidene-5-prop-2-enoxy-oxan-4-yl] benzoate

Systemtic Name: [(2S,4R,5S,6S)-2-ethylsulfanyl-6-methyl-3-oxidanylidene-5-prop-2-enoxy-oxan-4-yl] benzoate Openeye Name: [(2S,4R,5S,6S)-5-allyloxy-2-ethylsulfanyl-6-methyl-3-oxo-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,4R,5S,6S)-2-(ethylthio)-6-methyl-3-oxo-5-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [(2S,4R,5S,6S)-2-ethylsulfanyl-6-methyl-3-oxo-5-prop-2-enoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,4R,5S,6S)-5-allyloxy-2-(ethylthio)-3-keto-6-methyl-tetrahydropyran-4-yl] ester Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(=O)C(C(C(O1)C)OCC=C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCS[C@H]1C(=O)[C@@H]([C@H]([C@@H](O1)C)OCC=C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22O5S/c1-4-11-21-15-12(3)22-18(24-5-2)14(19)16(15)23-17(20)13-9-7-6-8-10-13/h4,6-10,12,15-16,18H,1,5,11H2,2-3H3/t12-,15-,16-,18-/m0/s1