2-azanyl-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(2-methyl-3-nitrophenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(2-methyl-3-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(2-methyl-3-nitro-benzyl)thio]propionic acid Formula: C11H14N2O4S MolecularWeight: 270.30486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4S/c1-7-8(3-2-4-10(7)13(16)17)5-18-6-9(12)11(14)15/h2-4,9H,5-6,12H2,1H3,(H,14,15)