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

Systemtic Name: ethyl 4-methyl-2-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C21H24N4O4S/c1-4-6-9-12-25-19(27)15-11-8-7-10-14(15)16(24-25)18(26)23-21-22-13(3)17(30-21)20(28)29-5-2/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,22,23,26)