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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(4-methylanilino)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-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-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-toluidino)thiazol-4-yl]methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H18N4O3S/c1-13-6-8-14(9-7-13)22-21-23-15(12-29-21)11-28-19(26)10-18-16-4-2-3-5-17(16)20(27)25-24-18/h2-9,12H,10-11H2,1H3,(H,22,23)(H,25,27)