[6-(pyridin-4-ylcarbonyloxymethyl)-1,2-dithiin-3-yl]methyl pyridine-4-carboxylate

Systemtic Name: [6-(pyridin-4-ylcarbonyloxymethyl)-1,2-dithiin-3-yl]methyl pyridine-4-carboxylate Openeye Name: [6-(pyridine-4-carbonyloxymethyl)dithiin-3-yl]methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [6-[[oxo(pyridin-4-yl)methoxy]methyl]-3-dithiinyl]methyl ester IUPAC Name: [6-(pyridine-4-carbonyloxymethyl)dithiin-3-yl]methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid [6-(isonicotinoyloxymethyl)dithiin-3-yl]methyl ester Formula: C18H14N2O4S2 MolecularWeight: 386.44476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)OCC2=CC=C(SS2)COC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CN=CC=C1C(=O)OCC2=CC=C(SS2)COC(=O)C3=CC=NC=C3

InChI

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