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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C#N)(C1=CC(=CS1)Br)C(C)C

Isomeric SMILES

CCOC(=O)CCC(C#N)(C1=CC(=CS1)Br)C(C)C

InChI

InChI=1S/C14H18BrNO2S/c1-4-18-13(17)5-6-14(9-16,10(2)3)12-7-11(15)8-19-12/h7-8,10H,4-6H2,1-3H3