ethyl 4-cyano-5-[(4-iodophenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[(4-iodophenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(4-iodobenzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(4-iodophenyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(4-iodobenzoyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(4-iodobenzoyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H13IN2O3S MolecularWeight: 440.25549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13IN2O3S/c1-3-22-16(21)13-9(2)12(8-18)15(23-13)19-14(20)10-4-6-11(17)7-5-10/h4-7H,3H2,1-2H3,(H,19,20)