dimethyl (3S,4R)-3-(phenylsulfanylmethyl)-4-(phenylsulfonylmethyl)cyclopentane-1,1-dicarboxylate

Systemtic Name: dimethyl (3S,4R)-3-(phenylsulfanylmethyl)-4-(phenylsulfonylmethyl)cyclopentane-1,1-dicarboxylate Openeye Name: dimethyl (3R,4S)-3-(benzenesulfonylmethyl)-4-(phenylsulfanylmethyl)cyclopentane-1,1-dicarboxylate CAS Name: (3R,4S)-3-(benzenesulfonylmethyl)-4-[(phenylthio)methyl]cyclopentane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3R,4S)-3-(benzenesulfonylmethyl)-4-(phenylsulfanylmethyl)cyclopentane-1,1-dicarboxylate Traditional Name: (3R,4S)-3-(besylmethyl)-4-[(phenylthio)methyl]cyclopentane-1,1-dicarboxylic acid dimethyl ester Formula: C23H26O6S2 MolecularWeight: 462.57894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(C1)CS(=O)(=O)C2=CC=CC=C2)CSC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@@H]([C@@H](C1)CS(=O)(=O)C2=CC=CC=C2)CSC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H26O6S2/c1-28-21(24)23(22(25)29-2)13-17(15-30-19-9-5-3-6-10-19)18(14-23)16-31(26,27)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3/t17-,18+/m1/s1