ethyl 2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-oxo-3-[[4-(p-tolyl)thiazol-2-yl]methyl]phthalazin-1-yl]acetate CAS Name: 2-[3-[[4-(4-methylphenyl)-2-thiazolyl]methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[[4-(p-tolyl)thiazol-2-yl]methyl]phthalazin-1-yl]acetic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H21N3O3S/c1-3-29-22(27)12-19-17-6-4-5-7-18(17)23(28)26(25-19)13-21-24-20(14-30-21)16-10-8-15(2)9-11-16/h4-11,14H,3,12-13H2,1-2H3