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

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H15BrN2O4S MolecularWeight: 471.3238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H15BrN2O4S/c1-27-18-7-6-12(22)8-16(18)20-23-13(11-29-20)10-28-21(26)15-9-19(25)24-17-5-3-2-4-14(15)17/h2-9,11H,10H2,1H3,(H,24,25)