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

Systemtic Name: [(2S,3R,4R,5S,6R)-2-ethylsulfanyl-5-phenoxycarbothioyloxy-6-(phenylmethoxymethyl)-3-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-4-yl] ethanoate Openeye Name: [(2R,3S,4R,5R,6S)-2-(benzyloxymethyl)-6-ethylsulfanyl-3-phenoxycarbothioyloxy-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5S,6R)-2-(ethylthio)-3-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-5-[phenoxy(sulfanylidene)methoxy]-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-2-ethylsulfanyl-5-phenoxycarbothioyloxy-6-(phenylmethoxymethyl)-3-(2,2,2-trichloroethoxycarbonylamino)oxan-4-yl] acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6S)-2-(benzoxymethyl)-6-(ethylthio)-3-phenoxycarbothioyloxy-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-4-yl] ester Formula: C27H30Cl3NO8S2 MolecularWeight: 667.018

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)COCC2=CC=CC=C2)OC(=S)OC3=CC=CC=C3)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OC(=S)OC3=CC=CC=C3)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C27H30Cl3NO8S2/c1-3-41-24-21(31-25(33)35-16-27(28,29)30)23(36-17(2)32)22(39-26(40)37-19-12-8-5-9-13-19)20(38-24)15-34-14-18-10-6-4-7-11-18/h4-13,20-24H,3,14-16H2,1-2H3,(H,31,33)/t20-,21-,22-,23-,24+/m1/s1