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

Systemtic Name: methyl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonylamino]butanoate CAS Name: 4-(methylthio)-2-[(2-nitrophenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-(methylthio)-2-[(2-nitrophenyl)sulfonylamino]butyric acid methyl ester Formula: C12H16N2O6S2 MolecularWeight: 348.39524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S2/c1-20-12(15)9(7-8-21-2)13-22(18,19)11-6-4-3-5-10(11)14(16)17/h3-6,9,13H,7-8H2,1-2H3