methyl 2-(methylsulfanylmethyl)-3-(4-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: methyl 2-(methylsulfanylmethyl)-3-(4-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-(methylsulfanylmethyl)-3-(4-nitrophenyl)propanoate CAS Name: 3-hydroxy-2-[(methylthio)methyl]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-(methylsulfanylmethyl)-3-(4-nitrophenyl)propanoate Traditional Name: 3-hydroxy-2-[(methylthio)methyl]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-18-12(15)10(7-19-2)11(14)8-3-5-9(6-4-8)13(16)17/h3-6,10-11,14H,7H2,1-2H3