ethyl 5-[(2-chloranyl-5-iodanyl-phenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(2-chloranyl-5-iodanyl-phenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-chloro-5-iodo-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloro-5-iodobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(2-chloro-5-iodo-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H12ClIN2O3S MolecularWeight: 474.70055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC(=C2)I)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC(=C2)I)Cl)C#N)C

InChI

InChI=1S/C16H12ClIN2O3S/c1-3-23-16(22)13-8(2)11(7-19)15(24-13)20-14(21)10-6-9(18)4-5-12(10)17/h4-6H,3H2,1-2H3,(H,20,21)