methyl 2-(4-methylphenyl)-5-oxidanylidene-1,3-dithiane-4-carboxylate

Systemtic Name: methyl 2-(4-methylphenyl)-5-oxidanylidene-1,3-dithiane-4-carboxylate Openeye Name: methyl 5-oxo-2-(p-tolyl)-1,3-dithiane-4-carboxylate CAS Name: 2-(4-methylphenyl)-5-oxo-1,3-dithiane-4-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylphenyl)-5-oxo-1,3-dithiane-4-carboxylate Traditional Name: 5-keto-2-(p-tolyl)-1,3-dithiane-4-carboxylic acid methyl ester Formula: C13H14O3S2 MolecularWeight: 282.37846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2SCC(=O)C(S2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2SCC(=O)C(S2)C(=O)OC

InChI

InChI=1S/C13H14O3S2/c1-8-3-5-9(6-4-8)13-17-7-10(14)11(18-13)12(15)16-2/h3-6,11,13H,7H2,1-2H3