(4-nitrophenyl)methyl 2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl 2-azanyl-4-methylsulfanyl-butanoate Openeye Name: (4-nitrophenyl)methyl 2-amino-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-amino-4-methylsulfanylbutanoate Traditional Name: 2-amino-4-(methylthio)butyric acid (4-nitrobenzyl) ester Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

CSCCC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C12H16N2O4S/c1-19-7-6-11(13)12(15)18-8-9-2-4-10(5-3-9)14(16)17/h2-5,11H,6-8,13H2,1H3