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

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl pyridine-3-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O3S/c1-22-15-5-4-12(18)7-14(15)16-20-13(10-24-16)9-23-17(21)11-3-2-6-19-8-11/h2-8,10H,9H2,1H3