[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

InChI=1S/C23H25N3O6S/c1-6-31-22(29)18-13(4)14(5)33-20(18)24-17(27)11-32-23(30)19-15-9-7-8-10-16(15)21(28)26(25-19)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,24,27)