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

Systemtic Name: [5-acetamido-3,4-diacetyloxy-6-(4-bromophenyl)sulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [5-acetamido-3,4-diacetoxy-6-(4-bromophenyl)sulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [5-acetamido-3,4-diacetyloxy-6-[(4-bromophenyl)thio]-2-oxanyl]methyl ester IUPAC Name: [5-acetamido-3,4-diacetyloxy-6-(4-bromophenyl)sulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [5-acetamido-3,4-diacetoxy-6-[(4-bromophenyl)thio]tetrahydropyran-2-yl]methyl ester Formula: C20H24BrNO8S MolecularWeight: 518.37546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1SC2=CC=C(C=C2)Br)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1C(C(C(OC1SC2=CC=C(C=C2)Br)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H24BrNO8S/c1-10(23)22-17-19(29-13(4)26)18(28-12(3)25)16(9-27-11(2)24)30-20(17)31-15-7-5-14(21)6-8-15/h5-8,16-20H,9H2,1-4H3,(H,22,23)