[(2S,3R,4S,5S,6S)-3-acetyloxy-2-(4-methylphenyl)sulfanyl-6-(phenylmethoxymethyl)-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-4-yl] ethanoate

Systemtic Name: [(2S,3R,4S,5S,6S)-3-acetyloxy-2-(4-methylphenyl)sulfanyl-6-(phenylmethoxymethyl)-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-4-yl] ethanoate Openeye Name: [(2S,3S,4S,5R,6S)-5-acetoxy-2-(benzyloxymethyl)-6-(p-tolylsulfanyl)-3-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2S,3R,4S,5S,6S)-3-acetyloxy-2-[(4-methylphenyl)thio]-5-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6S)-3-acetyloxy-2-(4-methylphenyl)sulfanyl-6-(phenylmethoxymethyl)-5-(2,2,2-trichloroethoxycarbonylamino)oxan-4-yl] acetate Traditional Name: acetic acid [(2S,3S,4S,5R,6S)-5-acetoxy-2-(benzoxymethyl)-6-(p-tolylthio)-3-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-4-yl] ester Formula: C27H30Cl3NO8S MolecularWeight: 634.953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(C(C(C(O2)COCC3=CC=CC=C3)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H30Cl3NO8S/c1-16-9-11-20(12-10-16)40-25-24(38-18(3)33)23(37-17(2)32)22(31-26(34)36-15-27(28,29)30)21(39-25)14-35-13-19-7-5-4-6-8-19/h4-12,21-25H,13-15H2,1-3H3,(H,31,34)/t21-,22+,23+,24-,25+/m1/s1