methyl 2-[(Z)-2-cyano-3-phenyl-prop-1-enyl]sulfanylethanoate

Systemtic Name: methyl 2-[(Z)-2-cyano-3-phenyl-prop-1-enyl]sulfanylethanoate Openeye Name: methyl 2-[(Z)-2-cyano-3-phenyl-prop-1-enyl]sulfanylacetate CAS Name: 2-[[(Z)-2-cyano-3-phenylprop-1-enyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(Z)-2-cyano-3-phenylprop-1-enyl]sulfanylacetate Traditional Name: 2-[[(Z)-2-cyano-3-phenyl-prop-1-enyl]thio]acetic acid methyl ester Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC=C(CC1=CC=CC=C1)C#N

Isomeric SMILES

COC(=O)CS/C=C(/CC1=CC=CC=C1)\C#N

InChI

InChI=1S/C13H13NO2S/c1-16-13(15)10-17-9-12(8-14)7-11-5-3-2-4-6-11/h2-6,9H,7,10H2,1H3/b12-9-