tert-butyl (1R,2R,5S)-2-(hydroxymethyl)-5-(4-pyridin-4-ylphenyl)sulfanyl-cyclopentane-1-carboxylate

Systemtic Name: tert-butyl (1R,2R,5S)-2-(hydroxymethyl)-5-(4-pyridin-4-ylphenyl)sulfanyl-cyclopentane-1-carboxylate Openeye Name: tert-butyl (1R,2R,5S)-2-(hydroxymethyl)-5-[4-(4-pyridyl)phenyl]sulfanyl-cyclopentanecarboxylate CAS Name: (1R,2R,5S)-2-(hydroxymethyl)-5-[(4-pyridin-4-ylphenyl)thio]-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,2R,5S)-2-(hydroxymethyl)-5-(4-pyridin-4-ylphenyl)sulfanylcyclopentane-1-carboxylate Traditional Name: (1R,2R,5S)-2-methylol-5-[[4-(4-pyridyl)phenyl]thio]cyclopentanecarboxylic acid tert-butyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CCC1SC2=CC=C(C=C2)C3=CC=NC=C3)CO

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1[C@@H](CC[C@@H]1SC2=CC=C(C=C2)C3=CC=NC=C3)CO

InChI

InChI=1S/C22H27NO3S/c1-22(2,3)26-21(25)20-17(14-24)6-9-19(20)27-18-7-4-15(5-8-18)16-10-12-23-13-11-16/h4-5,7-8,10-13,17,19-20,24H,6,9,14H2,1-3H3/t17-,19-,20-/m0/s1