ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyloxy]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyloxy]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-2-[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethoxy]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[2-(4-keto-3H-phthalazin-1-yl)acetyl]oxyacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H22N4O7S MolecularWeight: 486.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H22N4O7S/c1-4-32-22(31)17-11(2)18(20(30)23-3)34-21(17)24-15(27)10-33-16(28)9-14-12-7-5-6-8-13(12)19(29)26-25-14/h5-8H,4,9-10H2,1-3H3,(H,23,30)(H,24,27)(H,26,29)