ethyl 2-methylsulfanyl-2-(7-nitro-1-benzofuran-2-yl)ethanoate

Systemtic Name: ethyl 2-methylsulfanyl-2-(7-nitro-1-benzofuran-2-yl)ethanoate Openeye Name: ethyl 2-methylsulfanyl-2-(7-nitrobenzofuran-2-yl)acetate CAS Name: 2-(methylthio)-2-(7-nitro-2-benzofuranyl)acetic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-2-(7-nitro-1-benzofuran-2-yl)acetate Traditional Name: 2-(methylthio)-2-(7-nitrobenzofuran-2-yl)acetic acid ethyl ester Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC2=C(O1)C(=CC=C2)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C(C1=CC2=C(O1)C(=CC=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C13H13NO5S/c1-3-18-13(15)12(20-2)10-7-8-5-4-6-9(14(16)17)11(8)19-10/h4-7,12H,3H2,1-2H3