methyl (2S)-4-methylsulfanyl-2-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-[[(E)-3-phenylacryloyl]amino]acetyl]amino]butyric acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C17H22N2O4S/c1-23-17(22)14(10-11-24-2)19-16(21)12-18-15(20)9-8-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3,(H,18,20)(H,19,21)/b9-8+/t14-/m0/s1