4-oxidanylidene-3-(4-oxidanylidene-4-thiophen-2-yl-butyl)phthalazine-1-carboxylate

Systemtic Name: 4-oxidanylidene-3-(4-oxidanylidene-4-thiophen-2-yl-butyl)phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[4-oxo-4-(2-thienyl)butyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-(4-oxo-4-thiophen-2-ylbutyl)-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-(4-oxo-4-thiophen-2-ylbutyl)phthalazine-1-carboxylate Traditional Name: 4-keto-3-[4-keto-4-(2-thienyl)butyl]phthalazine-1-carboxylate Formula: C17H13N2O4S- MolecularWeight: 341.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCCC(=O)C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCCC(=O)C3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c20-13(14-8-4-10-24-14)7-3-9-19-16(21)12-6-2-1-5-11(12)15(18-19)17(22)23/h1-2,4-6,8,10H,3,7,9H2,(H,22,23)/p-1