[(2S,3R,4R,5R,6R)-3-azido-2-ethoxycarbothioylsulfanyl-5-methoxy-6-(phenylmethoxymethyl)oxan-4-yl] ethanoate

Systemtic Name: [(2S,3R,4R,5R,6R)-3-azido-2-ethoxycarbothioylsulfanyl-5-methoxy-6-(phenylmethoxymethyl)oxan-4-yl] ethanoate Openeye Name: [(2R,3R,4R,5R,6S)-5-azido-2-(benzyloxymethyl)-6-ethoxycarbothioylsulfanyl-3-methoxy-tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5R,6R)-3-azido-2-[[ethoxy(sulfanylidene)methyl]thio]-5-methoxy-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6R)-3-azido-2-ethoxycarbothioylsulfanyl-5-methoxy-6-(phenylmethoxymethyl)oxan-4-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5R,6S)-5-azido-2-(benzoxymethyl)-6-(ethoxycarbothioylthio)-3-methoxy-tetrahydropyran-4-yl] ester Formula: C19H25N3O6S2 MolecularWeight: 455.5483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1C(C(C(C(O1)COCC2=CC=CC=C2)OC)OC(=O)C)N=[N+]=[N-]

Isomeric SMILES

CCOC(=S)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OC)OC(=O)C)N=[N+]=[N-]

InChI

InChI=1S/C19H25N3O6S2/c1-4-26-19(29)30-18-15(21-22-20)17(27-12(2)23)16(24-3)14(28-18)11-25-10-13-8-6-5-7-9-13/h5-9,14-18H,4,10-11H2,1-3H3/t14-,15-,16+,17-,18+/m1/s1