2-azanyl-4-methylsulfanyl-2-[(4-nitrophenyl)methyl]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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