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

Systemtic Name: tert-butyl 3-(5-bromanylthiophen-2-yl)-7-ethanoylsulfanyl-3-oxidanyl-heptanoate Openeye Name: tert-butyl 7-acetylsulfanyl-3-(5-bromo-2-thienyl)-3-hydroxy-heptanoate CAS Name: 7-(acetylthio)-3-(5-bromo-2-thiophenyl)-3-hydroxyheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-acetylsulfanyl-3-(5-bromothiophen-2-yl)-3-hydroxyheptanoate Traditional Name: 7-(acetylthio)-3-(5-bromo-2-thienyl)-3-hydroxy-enanthic acid tert-butyl ester Formula: C17H25BrO4S2 MolecularWeight: 437.412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrO4S2/c1-12(19)23-10-6-5-9-17(21,13-7-8-14(18)24-13)11-15(20)22-16(2,3)4/h7-8,21H,5-6,9-11H2,1-4H3