[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5,6-bis(chloranyl)pyridine-3-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C16H13Cl2NO3S2 MolecularWeight: 402.31532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2NO3S2/c1-21-13-7-9(16-23-4-5-24-16)2-3-12(13)22-15(20)10-6-11(17)14(18)19-8-10/h2-3,6-8,16H,4-5H2,1H3