[(2R,3R,4R,5E,6S)-6-(diethylcarbamothioylsulfanyl)-3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxyimino)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5E,6S)-6-(diethylcarbamothioylsulfanyl)-3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxyimino)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5E,6S)-3,4-dibenzoyloxy-5-benzoyloxyimino-6-(diethylcarbamothioylsulfanyl)tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5E,6S)-3,4-dibenzoyloxy-5-benzoyloxyimino-6-[[diethylamino(sulfanylidene)methyl]thio]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4R,5E,6S)-3,4-dibenzoyloxy-5-benzoyloxyimino-6-(diethylcarbamothioylsulfanyl)oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5E,6S)-5-benzoyloximino-3,4-dibenzoyloxy-6-(diethylthiocarbamoylthio)tetrahydropyran-2-yl]methyl ester Formula: C39H36N2O9S2 MolecularWeight: 740.84114

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1C(=NOC(=O)C2=CC=CC=C2)C(C(C(O1)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCN(CC)C(=S)S[C@H]1/C(=N/OC(=O)C2=CC=CC=C2)/[C@H]([C@H]([C@H](O1)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C39H36N2O9S2/c1-3-41(4-2)39(51)52-38-31(40-50-37(45)29-23-15-8-16-24-29)33(49-36(44)28-21-13-7-14-22-28)32(48-35(43)27-19-11-6-12-20-27)30(47-38)25-46-34(42)26-17-9-5-10-18-26/h5-24,30,32-33,38H,3-4,25H2,1-2H3/b40-31+/t30-,32+,33-,38+/m1/s1