[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 6-chloranylpyridine-3-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-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 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C17H12BrClN2O3S MolecularWeight: 439.71078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrClN2O3S/c1-23-14-4-3-11(18)6-13(14)16-21-12(9-25-16)8-24-17(22)10-2-5-15(19)20-7-10/h2-7,9H,8H2,1H3