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

Systemtic Name: [(2S,3R,4R,5S,6R)-2-ethylsulfanyl-5-methylsulfanylcarbothioyloxy-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-methylsulfanylcarbothioyloxy-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5S,6R)-2-(ethylthio)-5-[(methylthio)-sulfanylidenemethoxy]-3-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-2-ethylsulfanyl-5-methylsulfanylcarbothioyloxy-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-(methylthio)carbothioyloxy-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-4-yl] ester Formula: C22H28Cl3NO7S3 MolecularWeight: 621.01422

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H28Cl3NO7S3/c1-4-36-19-16(26-20(28)30-12-22(23,24)25)18(31-13(2)27)17(33-21(34)35-3)15(32-19)11-29-10-14-8-6-5-7-9-14/h5-9,15-19H,4,10-12H2,1-3H3,(H,26,28)/t15-,16-,17-,18-,19+/m1/s1