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

Systemtic Name: ethyl 2-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C20H22N4O4S/c1-4-6-11-24-18(26)14-10-8-7-9-13(14)15(23-24)17(25)22-20-21-12(3)16(29-20)19(27)28-5-2/h7-10H,4-6,11H2,1-3H3,(H,21,22,25)