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

Systemtic Name: 3-acetamido-4-cyano-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 3-acetamido-4-cyano-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 3-acetamido-4-cyano-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 3-acetamido-4-cyano-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 3-acetamido-4-cyano-5-(methylthio)-2-thenoic acid Formula: C9H8N2O3S2 MolecularWeight: 256.30142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O3S2/c1-4(12)11-6-5(3-10)9(15-2)16-7(6)8(13)14/h1-2H3,(H,11,12)(H,13,14)