methyl 4-oxidanylidene-4-[1-(phenylsulfonyl)pyrrol-3-yl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[1-(phenylsulfonyl)pyrrol-3-yl]butanoate Openeye Name: methyl 4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxo-butanoate CAS Name: 4-[1-(benzenesulfonyl)-3-pyrrolyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoate Traditional Name: 4-(1-besylpyrrol-3-yl)-4-keto-butyric acid methyl ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H15NO5S/c1-21-15(18)8-7-14(17)12-9-10-16(11-12)22(19,20)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3