dimethyl (1R,2S)-4-naphthalen-2-ylsulfanyl-3-oxidanylidene-cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,2S)-4-naphthalen-2-ylsulfanyl-3-oxidanylidene-cyclohex-4-ene-1,2-dicarboxylate Openeye Name: dimethyl (1R,2S)-4-(2-naphthylsulfanyl)-3-oxo-cyclohex-4-ene-1,2-dicarboxylate CAS Name: (1R,2S)-4-(2-naphthalenylthio)-3-oxocyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S)-4-naphthalen-2-ylsulfanyl-3-oxocyclohex-4-ene-1,2-dicarboxylate Traditional Name: (1R,2S)-3-keto-4-(2-naphthylthio)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester Formula: C20H18O5S MolecularWeight: 370.41892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=C(C(=O)C1C(=O)OC)SC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)[C@@H]1CC=C(C(=O)[C@H]1C(=O)OC)SC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H18O5S/c1-24-19(22)15-9-10-16(18(21)17(15)20(23)25-2)26-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,10-11,15,17H,9H2,1-2H3/t15-,17+/m1/s1