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

Systemtic Name: ethyl 4-methyl-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-pentyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)-pentyl-amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(3-methyl-4-oxophthalazine-1-carbonyl)-pentylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C22H26N4O4S/c1-5-7-10-13-26(22-23-14(3)18(31-22)21(29)30-6-2)20(28)17-15-11-8-9-12-16(15)19(27)25(4)24-17/h8-9,11-12H,5-7,10,13H2,1-4H3