ethyl 2-(3-bromanylthiophen-2-yl)sulfanyl-2-methyl-pentanoate

Systemtic Name: ethyl 2-(3-bromanylthiophen-2-yl)sulfanyl-2-methyl-pentanoate Openeye Name: ethyl 2-[(3-bromo-2-thienyl)sulfanyl]-2-methyl-pentanoate CAS Name: 2-[(3-bromo-2-thiophenyl)thio]-2-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-(3-bromothiophen-2-yl)sulfanyl-2-methylpentanoate Traditional Name: 2-[(3-bromo-2-thienyl)thio]-2-methyl-valeric acid ethyl ester Formula: C12H17BrO2S2 MolecularWeight: 337.29618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OCC)SC1=C(C=CS1)Br

Isomeric SMILES

CCCC(C)(C(=O)OCC)SC1=C(C=CS1)Br

InChI

InChI=1S/C12H17BrO2S2/c1-4-7-12(3,11(14)15-5-2)17-10-9(13)6-8-16-10/h6,8H,4-5,7H2,1-3H3