ethyl 3-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4,5-dichloro-6-oxo-pyridazin-1-yl)methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(4,5-dichloro-6-oxo-1-pyridazinyl)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4,5-dichloro-6-keto-pyridazin-1-yl)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C16H11Cl2FN2O3S MolecularWeight: 401.239543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C16H11Cl2FN2O3S/c1-2-24-16(23)14-8(12-10(19)4-3-5-11(12)25-14)7-21-15(22)13(18)9(17)6-20-21/h3-6H,2,7H2,1H3