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

Systemtic Name: methyl 4-[(Z)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-[(Z)-2-cyano-2-(p-tolylsulfonyl)vinyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(Z)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[(Z)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(Z)-2-cyano-2-tosyl-vinyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(NC(=C2C(=O)OC)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C\C2=C(NC(=C2C(=O)OC)C)C)/C#N

InChI

InChI=1S/C18H18N2O4S/c1-11-5-7-14(8-6-11)25(22,23)15(10-19)9-16-12(2)20-13(3)17(16)18(21)24-4/h5-9,20H,1-4H3/b15-9-