ethyl 2-ethanoyl-4-methylsulfanyl-4-methylsulfinyl-3-(2-nitrophenyl)butanoate

Systemtic Name: ethyl 2-ethanoyl-4-methylsulfanyl-4-methylsulfinyl-3-(2-nitrophenyl)butanoate Openeye Name: ethyl 2-acetyl-4-methylsulfanyl-4-methylsulfinyl-3-(2-nitrophenyl)butanoate CAS Name: 2-acetyl-4-methylsulfinyl-4-(methylthio)-3-(2-nitrophenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-4-methylsulfanyl-4-methylsulfinyl-3-(2-nitrophenyl)butanoate Traditional Name: 2-acetyl-4-methylsulfinyl-4-(methylthio)-3-(2-nitrophenyl)butyric acid ethyl ester Formula: C16H21NO6S2 MolecularWeight: 387.47104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1[N+](=O)[O-])C(SC)S(=O)C)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CC=C1[N+](=O)[O-])C(SC)S(=O)C)C(=O)C

InChI

InChI=1S/C16H21NO6S2/c1-5-23-15(19)13(10(2)18)14(16(24-3)25(4)22)11-8-6-7-9-12(11)17(20)21/h6-9,13-14,16H,5H2,1-4H3