(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H16N2O4S/c1-11(2)20-17(22)13-7-4-3-6-12(13)16(19-20)18(23)24-10-14(21)15-8-5-9-25-15/h3-9,11H,10H2,1-2H3