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

Systemtic Name: [2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl ester Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=CN=C3)Br)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=CN=C3)Br)C(=O)C

InChI

InChI=1S/C19H16BrN3O3S/c1-12-4-3-5-17(6-12)23(13(2)24)19-22-16(11-27-19)10-26-18(25)14-7-15(20)9-21-8-14/h3-9,11H,10H2,1-2H3