4-methylsulfanyl-2-[2-(2-nitrophenyl)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(2-nitrophenyl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(2-nitrophenyl)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[2-(2-nitrophenyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(2-nitrophenyl)acetyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(2-nitrophenyl)acetyl]amino]butyric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-21-7-6-10(13(17)18)14-12(16)8-9-4-2-3-5-11(9)15(19)20/h2-5,10H,6-8H2,1H3,(H,14,16)(H,17,18)