tert-butyl (4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-(3-pyridin-2-ylsulfanylpropyl)-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-(3-pyridin-2-ylsulfanylpropyl)-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[3-(2-pyridylsulfanyl)propyl]oxazolidine-3-carboxylate CAS Name: (4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[3-(2-pyridinylthio)propyl]-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-(3-pyridin-2-ylsulfanylpropyl)-1,3-oxazolidine-3-carboxylate Traditional Name: (4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[3-(2-pyridylthio)propyl]oxazolidine-3-carboxylic acid tert-butyl ester Formula: C25H40N2O3S MolecularWeight: 448.6617

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(C(O1)CCCSC2=CC=CC=N2)CC3CCCCC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(N([C@H]([C@@H](O1)CCCSC2=CC=CC=N2)CC3CCCCC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H40N2O3S/c1-24(2,3)30-23(28)27-20(18-19-12-7-6-8-13-19)21(29-25(27,4)5)14-11-17-31-22-15-9-10-16-26-22/h9-10,15-16,19-21H,6-8,11-14,17-18H2,1-5H3/t20-,21-/m0/s1