methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(E)-3-(2-nitrophenyl)acryloyl]amino]butyric acid methyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C=CC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O5S/c1-22-15(19)12(9-10-23-2)16-14(18)8-7-11-5-3-4-6-13(11)17(20)21/h3-8,12H,9-10H2,1-2H3,(H,16,18)/b8-7+/t12-/m0/s1