methyl (E)-3-(5-butylthiophen-2-yl)-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-(5-butylthiophen-2-yl)-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-(5-butyl-2-thienyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(5-butyl-2-thiophenyl)-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(5-butylthiophen-2-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(5-butyl-2-thienyl)-2-cyano-acrylic acid methyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C=C(C#N)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(S1)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C13H15NO2S/c1-3-4-5-11-6-7-12(17-11)8-10(9-14)13(15)16-2/h6-8H,3-5H2,1-2H3/b10-8+