[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] thiophene-3-carboxylate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] thiophene-3-carboxylate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] thiophene-3-carboxylate Traditional Name: thiophene-3-carboxylic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C14H12INO3S MolecularWeight: 401.21945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CSC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CSC=C2

InChI

InChI=1S/C14H12INO3S/c1-9-6-11(15)2-3-12(9)16-13(17)7-19-14(18)10-4-5-20-8-10/h2-6,8H,7H2,1H3,(H,16,17)