[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)propionic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)OCC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)OCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C19H19N3O5S/c23-16(20-9-7-13-4-3-11-28-13)12-27-17(24)8-10-22-19(26)15-6-2-1-5-14(15)18(25)21-22/h1-6,11H,7-10,12H2,(H,20,23)(H,21,25)