(4-acetamido-1-methyl-5-oxidanylidene-2H-pyrrol-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-acetamido-1-methyl-5-oxidanylidene-2H-pyrrol-3-yl) 4-methylbenzenesulfonate Openeye Name: (4-acetamido-1-methyl-5-oxo-2H-pyrrol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-acetamido-1-methyl-5-oxo-2H-pyrrol-3-yl) ester IUPAC Name: (4-acetamido-1-methyl-5-oxo-2H-pyrrol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-acetamido-5-keto-1-methyl-3-pyrrolin-3-yl) ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C2)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C2)C)NC(=O)C

InChI

InChI=1S/C14H16N2O5S/c1-9-4-6-11(7-5-9)22(19,20)21-12-8-16(3)14(18)13(12)15-10(2)17/h4-7H,8H2,1-3H3,(H,15,17)