methyl (2R,3S)-3-ethyl-1-(4-methylphenyl)sulfonyl-4-methylsulfanyl-6-oxidanylidene-2,3-dihydropyridine-2-carboxylate

Systemtic Name: methyl (2R,3S)-3-ethyl-1-(4-methylphenyl)sulfonyl-4-methylsulfanyl-6-oxidanylidene-2,3-dihydropyridine-2-carboxylate Openeye Name: methyl (2R,3S)-3-ethyl-4-methylsulfanyl-6-oxo-1-(p-tolylsulfonyl)-2,3-dihydropyridine-2-carboxylate CAS Name: (2R,3S)-3-ethyl-1-(4-methylphenyl)sulfonyl-4-(methylthio)-6-oxo-2,3-dihydropyridine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R,3S)-3-ethyl-1-(4-methylphenyl)sulfonyl-4-methylsulfanyl-6-oxo-2,3-dihydropyridine-2-carboxylate Traditional Name: (2R,3S)-3-ethyl-6-keto-4-(methylthio)-1-tosyl-2,3-dihydropyridine-2-carboxylic acid methyl ester Formula: C17H21NO5S2 MolecularWeight: 383.48234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(C(=O)C=C1SC)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

Isomeric SMILES

CC[C@H]1[C@@H](N(C(=O)C=C1SC)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

InChI

InChI=1S/C17H21NO5S2/c1-5-13-14(24-4)10-15(19)18(16(13)17(20)23-3)25(21,22)12-8-6-11(2)7-9-12/h6-10,13,16H,5H2,1-4H3/t13-,16-/m1/s1