2-(2-cyanoethanoylamino)-4-iodanyl-5-methyl-thiophene-3-carboxylic acid

Systemtic Name: 2-(2-cyanoethanoylamino)-4-iodanyl-5-methyl-thiophene-3-carboxylic acid Openeye Name: 2-[(2-cyanoacetyl)amino]-4-iodo-5-methyl-thiophene-3-carboxylic acid CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-4-iodo-5-methyl-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-cyanoacetyl)amino]-4-iodo-5-methylthiophene-3-carboxylic acid Traditional Name: 2-[(2-cyanoacetyl)amino]-4-iodo-5-methyl-3-thenoic acid Formula: C9H7IN2O3S MolecularWeight: 350.13295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CC#N)C(=O)O)I

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CC#N)C(=O)O)I

InChI

InChI=1S/C9H7IN2O3S/c1-4-7(10)6(9(14)15)8(16-4)12-5(13)2-3-11/h2H2,1H3,(H,12,13)(H,14,15)