dimethyl (1R,2S)-4-(4-methylphenyl)sulfanyl-3-oxidanylidene-cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,2S)-4-(4-methylphenyl)sulfanyl-3-oxidanylidene-cyclohex-4-ene-1,2-dicarboxylate Openeye Name: dimethyl (1R,2S)-3-oxo-4-(p-tolylsulfanyl)cyclohex-4-ene-1,2-dicarboxylate CAS Name: (1R,2S)-4-[(4-methylphenyl)thio]-3-oxocyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S)-4-(4-methylphenyl)sulfanyl-3-oxocyclohex-4-ene-1,2-dicarboxylate Traditional Name: (1R,2S)-3-keto-4-(p-tolylthio)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CCC(C(C2=O)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC[C@H]([C@@H](C2=O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H18O5S/c1-10-4-6-11(7-5-10)23-13-9-8-12(16(19)21-2)14(15(13)18)17(20)22-3/h4-7,9,12,14H,8H2,1-3H3/t12-,14+/m1/s1