[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C22H15N3O5S MolecularWeight: 433.4366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H15N3O5S/c26-18(23-20(27)17-11-6-12-31-17)13-30-22(29)19-15-9-4-5-10-16(15)21(28)25(24-19)14-7-2-1-3-8-14/h1-12H,13H2,(H,23,26,27)