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

Systemtic Name: [2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thienyl)amino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-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-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[(3-carbethoxy-4-ethyl-5-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6S/c1-5-13-12(3)32-19(17(13)21(28)30-6-2)23-16(26)11-31-22(29)18-14-9-7-8-10-15(14)20(27)25(4)24-18/h7-10H,5-6,11H2,1-4H3,(H,23,26)