[2-(azidomethyl)-4-(dimethylamino)-4-(phenylcarbonyloxy)-6-phenylsulfanyl-oxan-3-yl] benzoate

Systemtic Name: [2-(azidomethyl)-4-(dimethylamino)-4-(phenylcarbonyloxy)-6-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [2-(azidomethyl)-4-benzoyloxy-4-(dimethylamino)-6-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [2-(azidomethyl)-4-benzoyloxy-4-(dimethylamino)-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [2-(azidomethyl)-4-benzoyloxy-4-(dimethylamino)-6-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [2-(azidomethyl)-4-benzoyloxy-4-(dimethylamino)-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C28H28N4O5S MolecularWeight: 532.61072

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CC(OC(C1OC(=O)C2=CC=CC=C2)CN=[N+]=[N-])SC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1(CC(OC(C1OC(=O)C2=CC=CC=C2)CN=[N+]=[N-])SC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O5S/c1-32(2)28(37-27(34)21-14-8-4-9-15-21)18-24(38-22-16-10-5-11-17-22)35-23(19-30-31-29)25(28)36-26(33)20-12-6-3-7-13-20/h3-17,23-25H,18-19H2,1-2H3