ethyl 2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-7-oxidanidyl-thieno[2,3-b]pyridin-7-ium-3-carboxylate

Systemtic Name: ethyl 2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-7-oxidanidyl-thieno[2,3-b]pyridin-7-ium-3-carboxylate Openeye Name: ethyl 2-(2-fluoro-4-iodo-anilino)-7-oxido-thieno[2,3-b]pyridin-7-ium-3-carboxylate CAS Name: 2-(2-fluoro-4-iodoanilino)-7-oxido-3-thieno[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-fluoro-4-iodoanilino)-7-oxidothieno[2,3-b]pyridin-7-ium-3-carboxylate Traditional Name: 2-(2-fluoro-4-iodo-anilino)-7-oxido-thieno[2,3-b]pyridin-7-ium-3-carboxylic acid ethyl ester Formula: C16H12FIN2O3S MolecularWeight: 458.245953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC=[N+]2[O-])NC3=C(C=C(C=C3)I)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC=[N+]2[O-])NC3=C(C=C(C=C3)I)F

InChI

InChI=1S/C16H12FIN2O3S/c1-2-23-16(21)13-10-4-3-7-20(22)15(10)24-14(13)19-12-6-5-9(18)8-11(12)17/h3-8,19H,2H2,1H3