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

Systemtic Name: [2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-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-ethyl-5-methyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-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-ethyl-5-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC)C

InChI

InChI=1S/C23H25N3O6S/c1-5-14-13(4)33-20(18(14)22(29)31-7-3)24-17(27)12-32-23(30)19-15-10-8-9-11-16(15)21(28)26(6-2)25-19/h8-11H,5-7,12H2,1-4H3,(H,24,27)