methyl 2-[(5-methylsulfanyl-2-nitro-phenyl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(5-methylsulfanyl-2-nitro-phenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[(5-methylsulfanyl-2-nitro-benzoyl)amino]propanoate CAS Name: 3-hydroxy-2-[[[5-(methylthio)-2-nitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(5-methylsulfanyl-2-nitrobenzoyl)amino]propanoate Traditional Name: 3-hydroxy-2-[[5-(methylthio)-2-nitro-benzoyl]amino]propionic acid methyl ester Formula: C12H14N2O6S MolecularWeight: 314.31436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=C(C=CC(=C1)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=C(C=CC(=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c1-20-12(17)9(6-15)13-11(16)8-5-7(21-2)3-4-10(8)14(18)19/h3-5,9,15H,6H2,1-2H3,(H,13,16)