dimethyl (2R,3R)-2,3-bis(phenylmethylsulfanyl)-2,3-dihydro-1,4-dithiine-5,6-dicarboxylate

Systemtic Name: dimethyl (2R,3R)-2,3-bis(phenylmethylsulfanyl)-2,3-dihydro-1,4-dithiine-5,6-dicarboxylate Openeye Name: dimethyl (2R,3R)-2,3-bis(benzylsulfanyl)-2,3-dihydro-1,4-dithiine-5,6-dicarboxylate CAS Name: (2R,3R)-2,3-bis(phenylmethylthio)-2,3-dihydro-1,4-dithiin-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,3R)-2,3-bis(benzylsulfanyl)-2,3-dihydro-1,4-dithiine-5,6-dicarboxylate Traditional Name: (2R,3R)-2,3-bis(benzylthio)-2,3-dihydro-1,4-dithiin-5,6-dicarboxylic acid dimethyl ester Formula: C22H22O4S4 MolecularWeight: 478.66768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(C(S1)SCC2=CC=CC=C2)SCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(S[C@H]([C@@H](S1)SCC2=CC=CC=C2)SCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22O4S4/c1-25-19(23)17-18(20(24)26-2)30-22(28-14-16-11-7-4-8-12-16)21(29-17)27-13-15-9-5-3-6-10-15/h3-12,21-22H,13-14H2,1-2H3/t21-,22-/m1/s1