methyl 4-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2-[(E)-2-phenylethenyl]-2H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2-[(E)-2-phenylethenyl]-2H-pyrrole-3-carboxylate Openeye Name: methyl 4-methoxy-5-oxo-1-(p-tolylsulfonyl)-2-[(E)-styryl]-2H-pyrrole-3-carboxylate CAS Name: 4-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-2-[(E)-2-phenylethenyl]-2H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-2-[(E)-2-phenylethenyl]-2H-pyrrole-3-carboxylate Traditional Name: 5-keto-4-methoxy-2-[(E)-styryl]-1-tosyl-3-pyrroline-3-carboxylic acid methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(=C(C2=O)OC)C(=O)OC)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(=C(C2=O)OC)C(=O)OC)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H21NO6S/c1-15-9-12-17(13-10-15)30(26,27)23-18(14-11-16-7-5-4-6-8-16)19(22(25)29-3)20(28-2)21(23)24/h4-14,18H,1-3H3/b14-11+