[2-methylsulfanyl-1-oxidanylidene-1-[1-(1H-pyrrol-2-ylcarbonyl)pyrrolidin-2-yl]propan-2-yl] hydrogen sulfate

Systemtic Name: [2-methylsulfanyl-1-oxidanylidene-1-[1-(1H-pyrrol-2-ylcarbonyl)pyrrolidin-2-yl]propan-2-yl] hydrogen sulfate Openeye Name: [1-methyl-1-methylsulfanyl-2-oxo-2-[1-(1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]ethyl] hydrogen sulfate CAS Name: sulfuric acid [2-(methylthio)-1-oxo-1-[1-[oxo(1H-pyrrol-2-yl)methyl]-2-pyrrolidinyl]propan-2-yl] ester IUPAC Name: [2-methylsulfanyl-1-oxo-1-[1-(1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-keto-1-methyl-1-(methylthio)-2-[1-(1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]ethyl] ester Formula: C13H18N2O6S2 MolecularWeight: 362.42182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1CCCN1C(=O)C2=CC=CN2)(OS(=O)(=O)O)SC

Isomeric SMILES

CC(C(=O)C1CCCN1C(=O)C2=CC=CN2)(OS(=O)(=O)O)SC

InChI

InChI=1S/C13H18N2O6S2/c1-13(22-2,21-23(18,19)20)11(16)10-6-4-8-15(10)12(17)9-5-3-7-14-9/h3,5,7,10,14H,4,6,8H2,1-2H3,(H,18,19,20)