ethyl 2-cyano-2-[4-(3-methylthiophen-2-yl)phenyl]propanoate

Systemtic Name: ethyl 2-cyano-2-[4-(3-methylthiophen-2-yl)phenyl]propanoate Openeye Name: ethyl 2-cyano-2-[4-(3-methyl-2-thienyl)phenyl]propanoate CAS Name: 2-cyano-2-[4-(3-methyl-2-thiophenyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[4-(3-methylthiophen-2-yl)phenyl]propanoate Traditional Name: 2-cyano-2-[4-(3-methyl-2-thienyl)phenyl]propionic acid ethyl ester Formula: C17H17NO2S MolecularWeight: 301.379922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C#N)C1=CC=C(C=C1)C2=C(C=CS2)C

Isomeric SMILES

CCOC(=O)C([14CH3])(C#N)C1=CC=C(C=C1)C2=C(C=CS2)C

InChI

InChI=1S/C17H17NO2S/c1-4-20-16(19)17(3,11-18)14-7-5-13(6-8-14)15-12(2)9-10-21-15/h5-10H,4H2,1-3H3/i3+2