2-(3-nitrophenyl)ethanoyl 2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: 2-(3-nitrophenyl)ethanoyl 2-azanyl-4-methylsulfanyl-butanoate Openeye Name: [2-(3-nitrophenyl)acetyl] 2-amino-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)butanoic acid [2-(3-nitrophenyl)-1-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)acetyl] 2-amino-4-methylsulfanylbutanoate Traditional Name: 2-amino-4-(methylthio)butyric acid [2-(3-nitrophenyl)acetyl] ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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