S-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-oxidanyl-oxan-3-yl] benzenecarbothioate

Systemtic Name: S-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-oxidanyl-oxan-3-yl] benzenecarbothioate Openeye Name: S-[(2R,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyl-tetrahydropyran-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2R,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyl-3-oxanyl] ester IUPAC Name: S-[(2R,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2R,3R,4R,6S)-4-hydroxy-6-methoxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC)O)SC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c1-9-13(11(15)8-12(17-2)18-9)19-14(16)10-6-4-3-5-7-10/h3-7,9,11-13,15H,8H2,1-2H3/t9-,11-,12+,13+/m1/s1