methyl (4S)-4-[(2R,6R)-6-tert-butyloxan-2-yl]oxy-2-pyridin-2-ylsulfanyl-pentanoate

Systemtic Name: methyl (4S)-4-[(2R,6R)-6-tert-butyloxan-2-yl]oxy-2-pyridin-2-ylsulfanyl-pentanoate Openeye Name: methyl (4S)-4-[(2R,6R)-6-tert-butyltetrahydropyran-2-yl]oxy-2-(2-pyridylsulfanyl)pentanoate CAS Name: (4S)-4-[[(2R,6R)-6-tert-butyl-2-oxanyl]oxy]-2-(2-pyridinylthio)pentanoic acid methyl ester IUPAC Name: methyl (4S)-4-[(2R,6R)-6-tert-butyloxan-2-yl]oxy-2-pyridin-2-ylsulfanylpentanoate Traditional Name: (4S)-4-[(2R,6R)-6-tert-butyltetrahydropyran-2-yl]oxy-2-(2-pyridylthio)valeric acid methyl ester Formula: C20H31NO4S MolecularWeight: 381.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)OC)SC1=CC=CC=N1)OC2CCCC(O2)C(C)(C)C

Isomeric SMILES

C[C@@H](CC(C(=O)OC)SC1=CC=CC=N1)O[C@H]2CCC[C@@H](O2)C(C)(C)C

InChI

InChI=1S/C20H31NO4S/c1-14(24-18-11-8-9-16(25-18)20(2,3)4)13-15(19(22)23-5)26-17-10-6-7-12-21-17/h6-7,10,12,14-16,18H,8-9,11,13H2,1-5H3/t14-,15?,16+,18+/m0/s1