methyl (2S,3S)-3-(4-methylphenyl)-1,1-bis(oxidanylidene)thiane-2-carboxylate

Systemtic Name: methyl (2S,3S)-3-(4-methylphenyl)-1,1-bis(oxidanylidene)thiane-2-carboxylate Openeye Name: methyl (2S,3S)-1,1-dioxo-3-(p-tolyl)thiane-2-carboxylate CAS Name: (2S,3S)-3-(4-methylphenyl)-1,1-dioxo-2-thianecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-3-(4-methylphenyl)-1,1-dioxothiane-2-carboxylate Traditional Name: (2S,3S)-1,1-diketo-3-(p-tolyl)thiane-2-carboxylic acid methyl ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCCS(=O)(=O)C2C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CCCS(=O)(=O)[C@@H]2C(=O)OC

InChI

InChI=1S/C14H18O4S/c1-10-5-7-11(8-6-10)12-4-3-9-19(16,17)13(12)14(15)18-2/h5-8,12-13H,3-4,9H2,1-2H3/t12-,13-/m0/s1