3-[2-[[2-ethoxycarbonyl-5-(4-fluorophenyl)thiophen-3-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[2-ethoxycarbonyl-5-(4-fluorophenyl)thiophen-3-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[[2-ethoxycarbonyl-5-(4-fluorophenyl)-3-thienyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[2-ethoxycarbonyl-5-(4-fluorophenyl)-3-thiophenyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[[2-ethoxycarbonyl-5-(4-fluorophenyl)thiophen-3-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[[2-carbethoxy-5-(4-fluorophenyl)-3-thienyl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C24H18FN3O6S MolecularWeight: 495.479623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C24H18FN3O6S/c1-2-34-24(33)21-17(11-18(35-21)13-7-9-14(25)10-8-13)26-19(29)12-28-22(30)16-6-4-3-5-15(16)20(27-28)23(31)32/h3-11H,2,12H2,1H3,(H,26,29)(H,31,32)