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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C17H15N3O5S/c21-14(18-8-11-4-3-7-26-11)10-25-15(22)9-20-17(24)13-6-2-1-5-12(13)16(23)19-20/h1-7H,8-10H2,(H,18,21)(H,19,23)