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

Systemtic Name: S-[(2R,3S,4S,6S)-6-azanyloxy-2-methyl-4-oxidanyl-oxan-3-yl] 2,4,6-trimethylbenzenecarbothioate Openeye Name: S-[(2R,3S,4S,6S)-6-aminooxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl] 2,4,6-trimethylbenzenecarbothioate CAS Name: 2,4,6-trimethylbenzenecarbothioic acid S-[(2R,3S,4S,6S)-6-aminooxy-4-hydroxy-2-methyl-3-oxanyl] ester IUPAC Name: S-[(2R,3S,4S,6S)-6-aminooxy-4-hydroxy-2-methyloxan-3-yl] 2,4,6-trimethylbenzenecarbothioate Traditional Name: 2,4,6-trimethylthiobenzoic acid S-[(2R,3S,4S,6S)-6-aminooxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)ON)O)SC(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

C[C@@H]1[C@H]([C@H](C[C@@H](O1)ON)O)SC(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C16H23NO4S/c1-8-5-9(2)14(10(3)6-8)16(19)22-15-11(4)20-13(21-17)7-12(15)18/h5-6,11-13,15,18H,7,17H2,1-4H3/t11-,12+,13+,15-/m1/s1