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

Systemtic Name: dimethyl (3R,4S)-3-(phenylmethyl)-4-(phenylsulfanylmethyl)cyclopentane-1,1-dicarboxylate Openeye Name: dimethyl (3R,4S)-3-benzyl-4-(phenylsulfanylmethyl)cyclopentane-1,1-dicarboxylate CAS Name: (3R,4S)-3-(phenylmethyl)-4-[(phenylthio)methyl]cyclopentane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3R,4S)-3-benzyl-4-(phenylsulfanylmethyl)cyclopentane-1,1-dicarboxylate Traditional Name: (3R,4S)-3-benzyl-4-[(phenylthio)methyl]cyclopentane-1,1-dicarboxylic acid dimethyl ester Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(C1)CSC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@H]([C@H](C1)CSC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H26O4S/c1-26-21(24)23(22(25)27-2)14-18(13-17-9-5-3-6-10-17)19(15-23)16-28-20-11-7-4-8-12-20/h3-12,18-19H,13-16H2,1-2H3/t18-,19-/m1/s1