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

Systemtic Name: tert-butyl (4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-(2-pyridin-4-ylsulfanylethyl)-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[2-(4-pyridylsulfanyl)ethyl]oxazolidine-3-carboxylate CAS Name: (4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[2-(pyridin-4-ylthio)ethyl]-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-(2-pyridin-4-ylsulfanylethyl)-1,3-oxazolidine-3-carboxylate Traditional Name: (4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[2-(4-pyridylthio)ethyl]oxazolidine-3-carboxylic acid tert-butyl ester Formula: C24H38N2O3S MolecularWeight: 434.63512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(C(O1)CCSC2=CC=NC=C2)CC3CCCCC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(N([C@H]([C@@H](O1)CCSC2=CC=NC=C2)CC3CCCCC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C24H38N2O3S/c1-23(2,3)29-22(27)26-20(17-18-9-7-6-8-10-18)21(28-24(26,4)5)13-16-30-19-11-14-25-15-12-19/h11-12,14-15,18,20-21H,6-10,13,16-17H2,1-5H3/t20-,21-/m0/s1