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

Systemtic Name: tert-butyl 3-(1-methoxyethyl)-4-methyl-2-(4-methylphenyl)sulfonyl-5-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl 3-(1-methoxyethyl)-4-methyl-5-oxo-2-(p-tolylsulfonyl)-2H-pyrrole-1-carboxylate CAS Name: 3-(1-methoxyethyl)-4-methyl-2-(4-methylphenyl)sulfonyl-5-oxo-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1-methoxyethyl)-4-methyl-2-(4-methylphenyl)sulfonyl-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: 2-keto-4-(1-methoxyethyl)-3-methyl-5-tosyl-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C20H27NO6S MolecularWeight: 409.49648

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO6S/c1-12-8-10-15(11-9-12)28(24,25)18-16(14(3)26-7)13(2)17(22)21(18)19(23)27-20(4,5)6/h8-11,14,18H,1-7H3