methyl 4-methylsulfanyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoate Openeye Name: methyl 2-[[(E)-cinnamyl]amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[(E)-3-phenylprop-2-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoate Traditional Name: 2-[[(E)-cinnamyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NCC=CC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCSC)NC/C=C/C1=CC=CC=C1

InChI

InChI=1S/C15H21NO2S/c1-18-15(17)14(10-12-19-2)16-11-6-9-13-7-4-3-5-8-13/h3-9,14,16H,10-12H2,1-2H3/b9-6+