[(2R,3S,4R,5R,6S)-5-azido-6-ethylsulfanyl-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] benzoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-azido-6-ethylsulfanyl-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] benzoate Openeye Name: [(2R,3S,4R,5R,6S)-5-azido-4-benzyloxy-2-(benzyloxymethyl)-6-ethylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4R,5R,6S)-5-azido-6-(ethylthio)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-azido-6-ethylsulfanyl-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R,6S)-5-azido-4-benzoxy-2-(benzoxymethyl)-6-(ethylthio)tetrahydropyran-3-yl] ester Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)COCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)N=[N+]=[N-]

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)N=[N+]=[N-]

InChI

InChI=1S/C29H31N3O5S/c1-2-38-29-25(31-32-30)27(35-19-22-14-8-4-9-15-22)26(37-28(33)23-16-10-5-11-17-23)24(36-29)20-34-18-21-12-6-3-7-13-21/h3-17,24-27,29H,2,18-20H2,1H3/t24-,25-,26-,27-,29+/m1/s1