[6-(acetamidomethyl)-4-acetyloxy-2-hexylsulfanyl-oxan-3-yl] benzoate

Systemtic Name: [6-(acetamidomethyl)-4-acetyloxy-2-hexylsulfanyl-oxan-3-yl] benzoate Openeye Name: [6-(acetamidomethyl)-4-acetoxy-2-hexylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [6-(acetamidomethyl)-4-acetyloxy-2-(hexylthio)-3-oxanyl] ester IUPAC Name: [6-(acetamidomethyl)-4-acetyloxy-2-hexylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [6-(acetamidomethyl)-4-acetoxy-2-(hexylthio)tetrahydropyran-3-yl] ester Formula: C23H33NO6S MolecularWeight: 451.57622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1C(C(CC(O1)CNC(=O)C)OC(=O)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCSC1C(C(CC(O1)CNC(=O)C)OC(=O)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H33NO6S/c1-4-5-6-10-13-31-23-21(30-22(27)18-11-8-7-9-12-18)20(28-17(3)26)14-19(29-23)15-24-16(2)25/h7-9,11-12,19-21,23H,4-6,10,13-15H2,1-3H3,(H,24,25)