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

Systemtic Name: [(2S,3R,4R,5R,6R)-3-azido-2-ethoxycarbothioylsulfanyl-5-oxidanyl-6-(phenylmethoxymethyl)oxan-4-yl] ethanoate Openeye Name: [(2R,3R,4R,5R,6S)-5-azido-2-(benzyloxymethyl)-6-ethoxycarbothioylsulfanyl-3-hydroxy-tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5R,6R)-3-azido-2-[[ethoxy(sulfanylidene)methyl]thio]-5-hydroxy-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6R)-3-azido-2-ethoxycarbothioylsulfanyl-5-hydroxy-6-(phenylmethoxymethyl)oxan-4-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5R,6S)-5-azido-2-(benzoxymethyl)-6-(ethoxycarbothioylthio)-3-hydroxy-tetrahydropyran-4-yl] ester Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H23N3O6S2/c1-3-25-18(28)29-17-14(20-21-19)16(26-11(2)22)15(23)13(27-17)10-24-9-12-7-5-4-6-8-12/h4-8,13-17,23H,3,9-10H2,1-2H3/t13-,14-,15+,16-,17+/m1/s1