O-[(4aR,6S,7S,8R,8aS)-8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] methylsulfanylmethanethioate

Systemtic Name: O-[(4aR,6S,7S,8R,8aS)-8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] methylsulfanylmethanethioate Openeye Name: O-[(4aR,6S,7S,8R,8aS)-8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[(4aR,6S,7S,8R,8aS)-8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] ester IUPAC Name: O-[(4aR,6S,7S,8R,8aS)-8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[(4aR,6S,7S,8R,8aS)-8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)N=[N+]=[N-])OC(=S)SC

Isomeric SMILES

CO[C@@H]1[C@H]([C@@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)N=[N+]=[N-])OC(=S)SC

InChI

InChI=1S/C16H19N3O5S2/c1-20-15-13(24-16(25)26-2)11(18-19-17)12-10(22-15)8-21-14(23-12)9-6-4-3-5-7-9/h3-7,10-15H,8H2,1-2H3/t10-,11-,12-,13+,14?,15+/m1/s1