(phenylmethyl) 4-methylsulfonyl-5-oxidanyl-3-oxidanylidene-2H-pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 4-methylsulfonyl-5-oxidanyl-3-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: benzyl 5-hydroxy-4-methylsulfonyl-3-oxo-2H-pyrrole-1-carboxylate CAS Name: 5-hydroxy-4-methylsulfonyl-3-oxo-2H-pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-hydroxy-4-methylsulfonyl-3-oxo-2H-pyrrole-1-carboxylate Traditional Name: 2-hydroxy-4-keto-3-mesyl-2-pyrroline-1-carboxylic acid benzyl ester Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N(CC1=O)C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CS(=O)(=O)C1=C(N(CC1=O)C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C13H13NO6S/c1-21(18,19)11-10(15)7-14(12(11)16)13(17)20-8-9-5-3-2-4-6-9/h2-6,16H,7-8H2,1H3