ethyl 2-[3-[(E)-2-cyanoethenyl]phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-[(E)-2-cyanoethenyl]phenyl]sulfanylethanoate Openeye Name: ethyl 2-[3-[(E)-2-cyanovinyl]phenyl]sulfanylacetate CAS Name: 2-[[3-[(E)-2-cyanoethenyl]phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(E)-2-cyanoethenyl]phenyl]sulfanylacetate Traditional Name: 2-[[3-[(E)-2-cyanovinyl]phenyl]thio]acetic acid ethyl ester Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC=CC(=C1)C=CC#N

Isomeric SMILES

CCOC(=O)CSC1=CC=CC(=C1)/C=C/C#N

InChI

InChI=1S/C13H13NO2S/c1-2-16-13(15)10-17-12-7-3-5-11(9-12)6-4-8-14/h3-7,9H,2,10H2,1H3/b6-4+