[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-(4-methylsulfonylphenyl)-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-(4-methylsulfonylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylphenyl)-2-oxoethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-keto-2-(4-mesylphenyl)ethyl] ester Formula: C18H15NO5S2 MolecularWeight: 389.4454

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C18H15NO5S2/c1-26(22,23)14-6-4-13(5-7-14)16(20)12-24-18(21)17-15(8-11-25-17)19-9-2-3-10-19/h2-11H,12H2,1H3