[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H15N3O4S/c1-10(15(21)18-9-11-5-4-8-25-11)24-17(23)14-12-6-2-3-7-13(12)16(22)20-19-14/h2-8,10H,9H2,1H3,(H,18,21)(H,20,22)