ethyl 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-pyrrol-3-yl]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-pyrrol-3-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-pyrrol-3-yl]-2-oxo-acetate CAS Name: 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-phenyl-3-pyrrolyl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-methyl-1-(4-methylsulfonylphenyl)-5-phenylpyrrol-3-yl]-2-oxoacetate Traditional Name: 2-keto-2-[1-(4-mesylphenyl)-2-methyl-5-phenyl-pyrrol-3-yl]acetic acid ethyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C(=O)C1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C22H21NO5S/c1-4-28-22(25)21(24)19-14-20(16-8-6-5-7-9-16)23(15(19)2)17-10-12-18(13-11-17)29(3,26)27/h5-14H,4H2,1-3H3