tert-butyl N-[(1R,2S,3R,5R)-3-oxidanyl-2-phenylsulfanyl-5-propan-2-yl-cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[(1R,2S,3R,5R)-3-oxidanyl-2-phenylsulfanyl-5-propan-2-yl-cyclohexyl]carbamate Openeye Name: tert-butyl N-[(1R,2S,3R,5R)-3-hydroxy-5-isopropyl-2-phenylsulfanyl-cyclohexyl]carbamate CAS Name: N-[(1R,2S,3R,5R)-3-hydroxy-2-(phenylthio)-5-propan-2-ylcyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R,2S,3R,5R)-3-hydroxy-2-phenylsulfanyl-5-propan-2-ylcyclohexyl]carbamate Traditional Name: N-[(1R,2S,3R,5R)-3-hydroxy-5-isopropyl-2-(phenylthio)cyclohexyl]carbamic acid tert-butyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(C(C(C1)O)SC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H]1C[C@H]([C@@H]([C@@H](C1)O)SC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31NO3S/c1-13(2)14-11-16(21-19(23)24-20(3,4)5)18(17(22)12-14)25-15-9-7-6-8-10-15/h6-10,13-14,16-18,22H,11-12H2,1-5H3,(H,21,23)/t14-,16-,17-,18+/m1/s1