S-methyl 2-oxidanylidene-2-[1-(phenylsulfonyl)pyrrol-2-yl]ethanethioate

Systemtic Name: S-methyl 2-oxidanylidene-2-[1-(phenylsulfonyl)pyrrol-2-yl]ethanethioate Openeye Name: S-methyl 2-[1-(benzenesulfonyl)pyrrol-2-yl]-2-oxo-ethanethioate CAS Name: 2-[1-(benzenesulfonyl)-2-pyrrolyl]-2-oxoethanethioic acid S-methyl ester IUPAC Name: S-methyl 2-[1-(benzenesulfonyl)pyrrol-2-yl]-2-oxoethanethioate Traditional Name: 2-(1-besylpyrrol-2-yl)-2-keto-ethanethioic acid S-methyl ester Formula: C13H11NO4S2 MolecularWeight: 309.36074

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C(=O)C1=CC=CN1S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CSC(=O)C(=O)C1=CC=CN1S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H11NO4S2/c1-19-13(16)12(15)11-8-5-9-14(11)20(17,18)10-6-3-2-4-7-10/h2-9H,1H3