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

Systemtic Name: [2-[ethanoyl-(2-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(N-acetyl-2-ethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methyl ester Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C2=NC(=CS2)COC(=O)C3=CC(=CN=C3)Br)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(C2=NC(=CS2)COC(=O)C3=CC(=CN=C3)Br)C(=O)C

InChI

InChI=1S/C20H18BrN3O3S/c1-3-14-6-4-5-7-18(14)24(13(2)25)20-23-17(12-28-20)11-27-19(26)15-8-16(21)10-22-9-15/h4-10,12H,3,11H2,1-2H3