[2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] ester Formula: C16H13BrClNO3S2 MolecularWeight: 446.76632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrClNO3S2/c1-21-12-8-9(16-23-5-6-24-16)7-11(17)13(12)22-15(20)10-3-2-4-19-14(10)18/h2-4,7-8,16H,5-6H2,1H3