tert-butyl 3-(5-bromanylthiophen-2-yl)-3-oxidanyl-6-sulfanyl-hexanoate

Systemtic Name: tert-butyl 3-(5-bromanylthiophen-2-yl)-3-oxidanyl-6-sulfanyl-hexanoate Openeye Name: tert-butyl 3-(5-bromo-2-thienyl)-3-hydroxy-6-sulfanyl-hexanoate CAS Name: 3-(5-bromo-2-thiophenyl)-3-hydroxy-6-mercaptohexanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(5-bromothiophen-2-yl)-3-hydroxy-6-sulfanylhexanoate Traditional Name: 3-(5-bromo-2-thienyl)-3-hydroxy-6-mercapto-hexanoic acid tert-butyl ester Formula: C14H21BrO3S2 MolecularWeight: 381.34874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrO3S2/c1-13(2,3)18-12(16)9-14(17,7-4-8-19)10-5-6-11(15)20-10/h5-6,17,19H,4,7-9H2,1-3H3