tert-butyl 3-(5-bromanylthiophen-2-yl)-3-oxidanyl-7-sulfanyl-heptanoate

Systemtic Name: tert-butyl 3-(5-bromanylthiophen-2-yl)-3-oxidanyl-7-sulfanyl-heptanoate Openeye Name: tert-butyl 3-(5-bromo-2-thienyl)-3-hydroxy-7-sulfanyl-heptanoate CAS Name: 3-(5-bromo-2-thiophenyl)-3-hydroxy-7-mercaptoheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(5-bromothiophen-2-yl)-3-hydroxy-7-sulfanylheptanoate Traditional Name: 3-(5-bromo-2-thienyl)-3-hydroxy-7-mercapto-enanthic acid tert-butyl ester Formula: C15H23BrO3S2 MolecularWeight: 395.37532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCCS)(C1=CC=C(S1)Br)O

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCCS)(C1=CC=C(S1)Br)O

InChI

InChI=1S/C15H23BrO3S2/c1-14(2,3)19-13(17)10-15(18,8-4-5-9-20)11-6-7-12(16)21-11/h6-7,18,20H,4-5,8-10H2,1-3H3