methyl 4-methylsulfanyl-2-[(4-nitrophenyl)carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(4-nitrophenyl)carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(4-nitrobenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(4-nitrophenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(4-nitrobenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(4-nitrobenzoyl)amino]butyric acid methyl ester Formula: C13H16N2O5S MolecularWeight: 312.34154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-20-13(17)11(7-8-21-2)14-12(16)9-3-5-10(6-4-9)15(18)19/h3-6,11H,7-8H2,1-2H3,(H,14,16)