[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-ethylphenyl)thiazol-4-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-ethylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(4-ethylphenyl)thiazol-4-yl]methyl ester Formula: C18H15BrN2O2S MolecularWeight: 403.2929

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H15BrN2O2S/c1-2-12-3-5-13(6-4-12)17-21-16(11-24-17)10-23-18(22)14-7-15(19)9-20-8-14/h3-9,11H,2,10H2,1H3