methyl (2S)-4-methylsulfanyl-2-[2-(4-nitrophenyl)ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-(4-nitrophenyl)ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-(4-nitrophenyl)acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-(4-nitrophenyl)acetyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-(4-nitrophenyl)acetyl]amino]butyric acid methyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5S/c1-21-14(18)12(7-8-22-2)15-13(17)9-10-3-5-11(6-4-10)16(19)20/h3-6,12H,7-9H2,1-2H3,(H,15,17)/t12-/m0/s1