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

Systemtic Name: 3-[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=CS3)C(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=CS3)C(=O)N)C(=O)O

InChI

InChI=1S/C16H12N4O5S/c17-13(22)10-5-6-26-14(10)18-11(21)7-20-15(23)9-4-2-1-3-8(9)12(19-20)16(24)25/h1-6H,7H2,(H2,17,22)(H,18,21)(H,24,25)