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

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-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-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C18H15BrN2O3S2 MolecularWeight: 451.3573

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O3S2/c1-23-15-6-5-11(19)8-14(15)17-21-12(10-26-17)9-24-18(22)13-4-3-7-20-16(13)25-2/h3-8,10H,9H2,1-2H3