tert-butyl 2-[(E)-2-methylsulfonylethenyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(E)-2-methylsulfonylethenyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(E)-2-methylsulfonylvinyl]pyrrole-1-carboxylate CAS Name: 2-[(E)-2-methylsulfonylethenyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-2-methylsulfonylethenyl]pyrrole-1-carboxylate Traditional Name: 2-[(E)-2-mesylvinyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C=CS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1/C=C/S(=O)(=O)C

InChI

InChI=1S/C12H17NO4S/c1-12(2,3)17-11(14)13-8-5-6-10(13)7-9-18(4,15)16/h5-9H,1-4H3/b9-7+