methyl 4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[(E)-2-(benzenesulfonyl)-2-cyano-vinyl]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[(E)-2-besyl-2-cyano-vinyl]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)C=C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O4S/c1-18-11-12(9-15(18)16(19)22-2)8-14(10-17)23(20,21)13-6-4-3-5-7-13/h3-9,11H,1-2H3/b14-8+