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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-oxo-2-(2-thienylmethylamino)ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(2-thenylamino)ethyl]phthalazine-1-carboxylate Formula: C16H12N3O4S- MolecularWeight: 342.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c20-13(17-8-10-4-3-7-24-10)9-19-15(21)12-6-2-1-5-11(12)14(18-19)16(22)23/h1-7H,8-9H2,(H,17,20)(H,22,23)/p-1