(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate CAS Name: 6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate Traditional Name: 6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C25H21FN2O6S MolecularWeight: 496.507443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H21FN2O6S/c1-2-32-25(31)23-17(22-18(26)9-6-10-20(22)35-23)15-34-24(30)19-11-12-21(29)28(27-19)13-14-33-16-7-4-3-5-8-16/h3-12H,2,13-15H2,1H3