(4-bromanylthiophen-2-yl) 4-cyano-2-ethyl-5-methyl-hexanoate

Systemtic Name: (4-bromanylthiophen-2-yl) 4-cyano-2-ethyl-5-methyl-hexanoate Openeye Name: (4-bromo-2-thienyl) 4-cyano-2-ethyl-5-methyl-hexanoate CAS Name: 4-cyano-2-ethyl-5-methylhexanoic acid (4-bromo-2-thiophenyl) ester IUPAC Name: (4-bromothiophen-2-yl) 4-cyano-2-ethyl-5-methylhexanoate Traditional Name: 4-cyano-2-ethyl-5-methyl-hexanoic acid (4-bromo-2-thienyl) ester Formula: C14H18BrNO2S MolecularWeight: 344.26722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C#N)C(C)C)C(=O)OC1=CC(=CS1)Br

Isomeric SMILES

CCC(CC(C#N)C(C)C)C(=O)OC1=CC(=CS1)Br

InChI

InChI=1S/C14H18BrNO2S/c1-4-10(5-11(7-16)9(2)3)14(17)18-13-6-12(15)8-19-13/h6,8-11H,4-5H2,1-3H3