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

Systemtic Name: [(2S,3R,4S,5S,6S)-5-acetamido-6-(acetyloxymethyl)-2-ethylsulfanyl-4-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5S,6S)-5-acetamido-6-(acetoxymethyl)-4-benzyloxy-2-ethylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5S,6S)-5-acetamido-6-(acetyloxymethyl)-2-(ethylthio)-4-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6S)-5-acetamido-6-(acetyloxymethyl)-2-ethylsulfanyl-4-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5S,6S)-5-acetamido-6-(acetoxymethyl)-4-benzoxy-2-(ethylthio)tetrahydropyran-3-yl] ester Formula: C26H31NO7S MolecularWeight: 501.59184

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)COC(=O)C)NC(=O)C)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)NC(=O)C)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H31NO7S/c1-4-35-26-24(34-25(30)20-13-9-6-10-14-20)23(32-15-19-11-7-5-8-12-19)22(27-17(2)28)21(33-26)16-31-18(3)29/h5-14,21-24,26H,4,15-16H2,1-3H3,(H,27,28)/t21-,22+,23+,24-,26+/m1/s1