[2-(aminocarbonylamino)-5-ethanoyl-4,6-dimethoxy-3-methyl-3-oxidanyl-1,2-dihydroinden-1-yl] hydrogen sulfate

Systemtic Name: [2-(aminocarbonylamino)-5-ethanoyl-4,6-dimethoxy-3-methyl-3-oxidanyl-1,2-dihydroinden-1-yl] hydrogen sulfate Openeye Name: (5-acetyl-3-hydroxy-4,6-dimethoxy-3-methyl-2-ureido-indan-1-yl) hydrogen sulfate CAS Name: sulfuric acid [5-acetyl-2-(carbamoylamino)-3-hydroxy-4,6-dimethoxy-3-methyl-1,2-dihydroinden-1-yl] ester IUPAC Name: [5-acetyl-2-(carbamoylamino)-3-hydroxy-4,6-dimethoxy-3-methyl-1,2-dihydroinden-1-yl] hydrogen sulfate Traditional Name: sulfuric acid (5-acetyl-3-hydroxy-4,6-dimethoxy-3-methyl-2-ureido-indan-1-yl) ester Formula: C15H20N2O9S MolecularWeight: 404.3923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C2C(C(C(C2=C1OC)(C)O)NC(=O)N)OS(=O)(=O)O)OC

Isomeric SMILES

CC(=O)C1=C(C=C2C(C(C(C2=C1OC)(C)O)NC(=O)N)OS(=O)(=O)O)OC

InChI

InChI=1S/C15H20N2O9S/c1-6(18)9-8(24-3)5-7-10(12(9)25-4)15(2,20)13(17-14(16)19)11(7)26-27(21,22)23/h5,11,13,20H,1-4H3,(H3,16,17,19)(H,21,22,23)