ethyl 3-[6-ethanoyl-2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-pyridazin-4-yl]sulfanylpropanoate

Systemtic Name: ethyl 3-[6-ethanoyl-2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-pyridazin-4-yl]sulfanylpropanoate Openeye Name: ethyl 3-[6-acetyl-2-(4-fluorophenyl)-5-methyl-3-oxo-pyridazin-4-yl]sulfanylpropanoate CAS Name: 3-[[6-acetyl-2-(4-fluorophenyl)-5-methyl-3-oxo-4-pyridazinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-acetyl-2-(4-fluorophenyl)-5-methyl-3-oxopyridazin-4-yl]sulfanylpropanoate Traditional Name: 3-[[6-acetyl-2-(4-fluorophenyl)-3-keto-5-methyl-pyridazin-4-yl]thio]propionic acid ethyl ester Formula: C18H19FN2O4S MolecularWeight: 378.417863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=C(C(=NN(C1=O)C2=CC=C(C=C2)F)C(=O)C)C

Isomeric SMILES

CCOC(=O)CCSC1=C(C(=NN(C1=O)C2=CC=C(C=C2)F)C(=O)C)C

InChI

InChI=1S/C18H19FN2O4S/c1-4-25-15(23)9-10-26-17-11(2)16(12(3)22)20-21(18(17)24)14-7-5-13(19)6-8-14/h5-8H,4,9-10H2,1-3H3