[5-acetamido-3,4-diacetyloxy-6-(2-chloroethylcarbamoylsulfanyl)oxan-2-yl]methyl ethanoate

Systemtic Name: [5-acetamido-3,4-diacetyloxy-6-(2-chloroethylcarbamoylsulfanyl)oxan-2-yl]methyl ethanoate Openeye Name: [5-acetamido-3,4-diacetoxy-6-(2-chloroethylcarbamoylsulfanyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [5-acetamido-3,4-diacetyloxy-6-[[(2-chloroethylamino)-oxomethyl]thio]-2-oxanyl]methyl ester IUPAC Name: [5-acetamido-3,4-diacetyloxy-6-(2-chloroethylcarbamoylsulfanyl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [5-acetamido-3,4-diacetoxy-6-(2-chloroethylcarbamoylthio)tetrahydropyran-2-yl]methyl ester Formula: C17H25ClN2O9S MolecularWeight: 468.9064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1SC(=O)NCCCl)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1C(C(C(OC1SC(=O)NCCCl)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H25ClN2O9S/c1-8(21)20-13-15(28-11(4)24)14(27-10(3)23)12(7-26-9(2)22)29-16(13)30-17(25)19-6-5-18/h12-16H,5-7H2,1-4H3,(H,19,25)(H,20,21)