methyl 4-[(E)-3-oxidanylidene-4-phenyl-but-1-enyl]-1-(phenylsulfonyl)pyrrole-2-carboxylate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-4-phenyl-but-1-enyl]-1-(phenylsulfonyl)pyrrole-2-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-4-[(E)-3-oxo-4-phenyl-but-1-enyl]pyrrole-2-carboxylate CAS Name: 1-(benzenesulfonyl)-4-[(E)-3-oxo-4-phenylbut-1-enyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-4-[(E)-3-oxo-4-phenylbut-1-enyl]pyrrole-2-carboxylate Traditional Name: 1-besyl-4-[(E)-3-keto-4-phenyl-but-1-enyl]pyrrole-2-carboxylic acid methyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1S(=O)(=O)C2=CC=CC=C2)C=CC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CN1S(=O)(=O)C2=CC=CC=C2)/C=C/C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H19NO5S/c1-28-22(25)21-15-18(12-13-19(24)14-17-8-4-2-5-9-17)16-23(21)29(26,27)20-10-6-3-7-11-20/h2-13,15-16H,14H2,1H3/b13-12+