[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-isobutyl-2-thienyl)amino]-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-[(3-carbethoxy-4-isobutyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C24H27N3O6S MolecularWeight: 485.55268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C(=CS3)CC(C)C)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C(=CS3)CC(C)C)C(=O)OCC

InChI

InChI=1S/C24H27N3O6S/c1-5-27-22(29)17-10-8-7-9-16(17)20(26-27)24(31)33-12-18(28)25-21-19(23(30)32-6-2)15(13-34-21)11-14(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,28)