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

Systemtic Name: [6-(acetamidomethyl)-2-hexylsulfanyl-3-oxidanyl-oxan-4-yl] benzoate Openeye Name: [6-(acetamidomethyl)-2-hexylsulfanyl-3-hydroxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [6-(acetamidomethyl)-2-(hexylthio)-3-hydroxy-4-oxanyl] ester IUPAC Name: [6-(acetamidomethyl)-2-hexylsulfanyl-3-hydroxyoxan-4-yl] benzoate Traditional Name: benzoic acid [6-(acetamidomethyl)-2-(hexylthio)-3-hydroxy-tetrahydropyran-4-yl] ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5S/c1-3-4-5-9-12-28-21-19(24)18(13-17(26-21)14-22-15(2)23)27-20(25)16-10-7-6-8-11-16/h6-8,10-11,17-19,21,24H,3-5,9,12-14H2,1-2H3,(H,22,23)