3-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H15FN2O5S MolecularWeight: 426.417603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H15FN2O5S/c1-2-29-21(28)18-13(16-14(22)8-5-9-15(16)30-18)10-24-19(25)12-7-4-3-6-11(12)17(23-24)20(26)27/h3-9H,2,10H2,1H3,(H,26,27)