ethyl 2-(5-ethanoyl-3-nitro-thiophen-2-yl)sulfanyl-2-methyl-propanoate

Systemtic Name: ethyl 2-(5-ethanoyl-3-nitro-thiophen-2-yl)sulfanyl-2-methyl-propanoate Openeye Name: ethyl 2-[(5-acetyl-3-nitro-2-thienyl)sulfanyl]-2-methyl-propanoate CAS Name: 2-[(5-acetyl-3-nitro-2-thiophenyl)thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(5-acetyl-3-nitrothiophen-2-yl)sulfanyl-2-methylpropanoate Traditional Name: 2-[(5-acetyl-3-nitro-2-thienyl)thio]-2-methyl-propionic acid ethyl ester Formula: C12H15NO5S2 MolecularWeight: 317.3812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=C(C=C(S1)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=C(C=C(S1)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO5S2/c1-5-18-11(15)12(3,4)20-10-8(13(16)17)6-9(19-10)7(2)14/h6H,5H2,1-4H3