[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C16H14BrNO3S2 MolecularWeight: 412.32126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C16H14BrNO3S2/c1-20-14-7-10(16-22-4-5-23-16)2-3-13(14)21-15(19)11-6-12(17)9-18-8-11/h2-3,6-9,16H,4-5H2,1H3