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

Systemtic Name: ethyl 3-[(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C19H16FN3O3S MolecularWeight: 385.412043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN3O3S/c1-4-26-19(25)17-13(16-14(20)6-5-7-15(16)27-17)9-23-18(24)12(8-21)10(2)11(3)22-23/h5-7H,4,9H2,1-3H3