[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-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-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H16BrN3O4S MolecularWeight: 486.33844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H16BrN3O4S/c1-28-18-7-6-12(22)8-16(18)21-23-13(11-30-21)10-29-19(26)9-17-14-4-2-3-5-15(14)20(27)25-24-17/h2-8,11H,9-10H2,1H3,(H,25,27)