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

Systemtic Name: butyl 2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenyl-pyrrol-3-yl]-2-oxidanylidene-ethanoate Openeye Name: butyl 2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenyl-pyrrol-3-yl]-2-oxo-acetate CAS Name: 2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrrolyl]-2-oxoacetic acid butyl ester IUPAC Name: butyl 2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenylpyrrol-3-yl]-2-oxoacetate Traditional Name: 2-keto-2-[5-(4-mesylphenyl)-2-methyl-1-phenyl-pyrrol-3-yl]acetic acid butyl ester Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO5S/c1-4-5-15-30-24(27)23(26)21-16-22(18-11-13-20(14-12-18)31(3,28)29)25(17(21)2)19-9-7-6-8-10-19/h6-14,16H,4-5,15H2,1-3H3