[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 4-methyl-2-(2-pyridyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(2-pyridinyl)-5-thiazolecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-pyridyl)thiazole-5-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C19H15BrN2O4S MolecularWeight: 447.3024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C19H15BrN2O4S/c1-11-17(27-18(22-11)14-5-3-4-8-21-14)19(24)26-10-15(23)12-6-7-16(25-2)13(20)9-12/h3-9H,10H2,1-2H3