ethyl 5-methylsulfonyl-2-oxidanyl-3-pyrrol-1-yl-benzoate

Systemtic Name: ethyl 5-methylsulfonyl-2-oxidanyl-3-pyrrol-1-yl-benzoate Openeye Name: ethyl 2-hydroxy-5-methylsulfonyl-3-pyrrol-1-yl-benzoate CAS Name: 2-hydroxy-5-methylsulfonyl-3-(1-pyrrolyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-5-methylsulfonyl-3-pyrrol-1-ylbenzoate Traditional Name: 2-hydroxy-5-mesyl-3-pyrrol-1-yl-benzoic acid ethyl ester Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1O)N2C=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1O)N2C=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H15NO5S/c1-3-20-14(17)11-8-10(21(2,18)19)9-12(13(11)16)15-6-4-5-7-15/h4-9,16H,3H2,1-2H3