ethyl 5-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-2-(p-tolylsulfonyl)vinyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-2-tosyl-vinyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C19H20N2O4S/c1-5-25-19(22)18-13(3)17(21-14(18)4)10-16(11-20)26(23,24)15-8-6-12(2)7-9-15/h6-10,21H,5H2,1-4H3/b16-10+