ethyl 4-methyl-2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoyl-pentyl-amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoyl-pentyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]-pentyl-amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]-pentylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C23H28N4O4S/c1-5-7-10-13-27(23-24-15(3)20(32-23)22(30)31-6-2)19(28)14-18-16-11-8-9-12-17(16)21(29)26(4)25-18/h8-9,11-12H,5-7,10,13-14H2,1-4H3