(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H16N2O4S MolecularWeight: 356.39564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H16N2O4S/c1-20-17(22)13-7-3-2-6-12(13)16(19-20)18(23)24-10-4-8-14(21)15-9-5-11-25-15/h2-3,5-7,9,11H,4,8,10H2,1H3