4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioyl]cyclohexane-1,1-dicarboxylic acid

Systemtic Name: 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioyl]cyclohexane-1,1-dicarboxylic acid Openeye Name: 4-[[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]carbamothioyl]cyclohexane-1,1-dicarboxylic acid CAS Name: 4-[[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]-sulfanylidenemethyl]cyclohexane-1,1-dicarboxylic acid IUPAC Name: 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioyl]cyclohexane-1,1-dicarboxylic acid Traditional Name: 4-[[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thiocarbamoyl]cyclohexane-1,1-dicarboxylic acid Formula: C23H32N2O12S MolecularWeight: 560.57138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1NC(=S)C2CCC(CC2)(C(=O)O)C(=O)O)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1C(C(C(OC1NC(=S)C2CCC(CC2)(C(=O)O)C(=O)O)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C23H32N2O12S/c1-10(26)24-16-18(36-13(4)29)17(35-12(3)28)15(9-34-11(2)27)37-19(16)25-20(38)14-5-7-23(8-6-14,21(30)31)22(32)33/h14-19H,5-9H2,1-4H3,(H,24,26)(H,25,38)(H,30,31)(H,32,33)