(4-azido-2-methyl-5-oxidanyl-6-phenylsulfanyl-oxan-3-yl) benzoate

Systemtic Name: (4-azido-2-methyl-5-oxidanyl-6-phenylsulfanyl-oxan-3-yl) benzoate Openeye Name: (4-azido-5-hydroxy-2-methyl-6-phenylsulfanyl-tetrahydropyran-3-yl) benzoate CAS Name: benzoic acid [4-azido-5-hydroxy-2-methyl-6-(phenylthio)-3-oxanyl] ester IUPAC Name: (4-azido-5-hydroxy-2-methyl-6-phenylsulfanyloxan-3-yl) benzoate Traditional Name: benzoic acid [4-azido-5-hydroxy-2-methyl-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)SC2=CC=CC=C2)O)N=[N+]=[N-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1C(C(C(C(O1)SC2=CC=CC=C2)O)N=[N+]=[N-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O4S/c1-12-17(26-18(24)13-8-4-2-5-9-13)15(21-22-20)16(23)19(25-12)27-14-10-6-3-7-11-14/h2-12,15-17,19,23H,1H3