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

Systemtic Name: (4-cyanothiophen-2-yl) 4-cyano-2-ethyl-5-methyl-hexanoate Openeye Name: (4-cyano-2-thienyl) 4-cyano-2-ethyl-5-methyl-hexanoate CAS Name: 4-cyano-2-ethyl-5-methylhexanoic acid (4-cyano-2-thiophenyl) ester IUPAC Name: (4-cyanothiophen-2-yl) 4-cyano-2-ethyl-5-methylhexanoate Traditional Name: 4-cyano-2-ethyl-5-methyl-hexanoic acid (4-cyano-2-thienyl) ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-4-12(6-13(8-17)10(2)3)15(18)19-14-5-11(7-16)9-20-14/h5,9-10,12-13H,4,6H2,1-3H3