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

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-chloranylpyridine-3-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate CAS Name: 2-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 2-chloropyridine-3-carboxylate Traditional Name: 2-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=C(N=CC=C3)Cl

Isomeric SMILES

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

InChI

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