[6-(pyridin-3-ylcarbonyloxymethyl)-1,2-dithiin-3-yl]methyl pyridine-3-carboxylate

Systemtic Name: [6-(pyridin-3-ylcarbonyloxymethyl)-1,2-dithiin-3-yl]methyl pyridine-3-carboxylate Openeye Name: [6-(pyridine-3-carbonyloxymethyl)dithiin-3-yl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [6-[[oxo(3-pyridinyl)methoxy]methyl]-3-dithiinyl]methyl ester IUPAC Name: [6-(pyridine-3-carbonyloxymethyl)dithiin-3-yl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [6-(nicotinoyloxymethyl)dithiin-3-yl]methyl ester Formula: C18H14N2O4S2 MolecularWeight: 386.44476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCC2=CC=C(SS2)COC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCC2=CC=C(SS2)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H14N2O4S2/c21-17(13-3-1-7-19-9-13)23-11-15-5-6-16(26-25-15)12-24-18(22)14-4-2-8-20-10-14/h1-10H,11-12H2