[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H15BrN2O3S/c1-26-19-9-7-14(22)10-16(19)20-23-15(12-28-20)11-27-21(25)18-8-6-13-4-2-3-5-17(13)24-18/h2-10,12H,11H2,1H3