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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H17N3O3S/c1-13-6-8-14(9-7-13)21-22-15(12-28-21)11-27-19(25)10-18-16-4-2-3-5-17(16)20(26)24-23-18/h2-9,12H,10-11H2,1H3,(H,24,26)