3-acetamido-4-cyano-5-methylsulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 3-acetamido-4-cyano-5-methylsulfonyl-thiophene-2-carboxylic acid Openeye Name: 3-acetamido-4-cyano-5-methylsulfonyl-thiophene-2-carboxylic acid CAS Name: 3-acetamido-4-cyano-5-methylsulfonyl-2-thiophenecarboxylic acid IUPAC Name: 3-acetamido-4-cyano-5-methylsulfonylthiophene-2-carboxylic acid Traditional Name: 3-acetamido-4-cyano-5-mesyl-2-thenoic acid Formula: C9H8N2O5S2 MolecularWeight: 288.30022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(SC(=C1C#N)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(SC(=C1C#N)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C9H8N2O5S2/c1-4(12)11-6-5(3-10)9(18(2,15)16)17-7(6)8(13)14/h1-2H3,(H,11,12)(H,13,14)