tert-butyl 3-(1-bromoethyl)-4-methyl-2-(4-methylphenyl)sulfonyl-5-oxidanylidene-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 3-(1-bromoethyl)-4-methyl-2-(4-methylphenyl)sulfonyl-5-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl 3-(1-bromoethyl)-4-methyl-5-oxo-2-(p-tolylsulfonyl)-2H-pyrrole-1-carboxylate CAS Name: 3-(1-bromoethyl)-4-methyl-2-(4-methylphenyl)sulfonyl-5-oxo-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1-bromoethyl)-4-methyl-2-(4-methylphenyl)sulfonyl-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: 4-(1-bromoethyl)-2-keto-3-methyl-5-tosyl-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C19H24BrNO5S MolecularWeight: 458.36656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2C(=C(C(=O)N2C(=O)OC(C)(C)C)C)C(C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2C(=C(C(=O)N2C(=O)OC(C)(C)C)C)C(C)Br

InChI

InChI=1S/C19H24BrNO5S/c1-11-7-9-14(10-8-11)27(24,25)17-15(13(3)20)12(2)16(22)21(17)18(23)26-19(4,5)6/h7-10,13,17H,1-6H3