[4-(1,3-dithiolan-2-yl)phenyl] 6-methylpyridine-2-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 6-methylpyridine-2-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 6-methylpyridine-2-carboxylate CAS Name: 6-methyl-2-pyridinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 6-methylpyridine-2-carboxylate Traditional Name: 6-methylpicolinic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C16H15NO2S2 MolecularWeight: 317.4258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C16H15NO2S2/c1-11-3-2-4-14(17-11)15(18)19-13-7-5-12(6-8-13)16-20-9-10-21-16/h2-8,16H,9-10H2,1H3