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

Systemtic Name: 3-[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H16FN3O4S MolecularWeight: 437.443543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C22H16FN3O4S/c23-14-9-7-13(8-10-14)19(17-6-3-11-31-17)24-18(27)12-26-21(28)16-5-2-1-4-15(16)20(25-26)22(29)30/h1-11,19H,12H2,(H,24,27)(H,29,30)