[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C14H12BrNO3S MolecularWeight: 354.21898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C14H12BrNO3S/c1-8-3-12(9(2)20-8)13(17)7-19-14(18)10-4-11(15)6-16-5-10/h3-6H,7H2,1-2H3