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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C#N)(C1=CC(=CS1)[N+]#[C-])C(C)C

Isomeric SMILES

CCOC(=O)CCC(C#N)(C1=CC(=CS1)[N+]#[C-])C(C)C

InChI

InChI=1S/C15H18N2O2S/c1-5-19-14(18)6-7-15(10-16,11(2)3)13-8-12(17-4)9-20-13/h8-9,11H,5-7H2,1-3H3