ethyl 2-ethanoyl-4-methyl-4-nitro-3-thiophen-2-yl-pentanoate

Systemtic Name: ethyl 2-ethanoyl-4-methyl-4-nitro-3-thiophen-2-yl-pentanoate Openeye Name: ethyl 2-acetyl-4-methyl-4-nitro-3-(2-thienyl)pentanoate CAS Name: 2-acetyl-4-methyl-4-nitro-3-thiophen-2-ylpentanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-4-methyl-4-nitro-3-thiophen-2-ylpentanoate Traditional Name: 2-acetyl-4-methyl-4-nitro-3-(2-thienyl)valeric acid ethyl ester Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CS1)C(C)(C)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CS1)C(C)(C)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C14H19NO5S/c1-5-20-13(17)11(9(2)16)12(10-7-6-8-21-10)14(3,4)15(18)19/h6-8,11-12H,5H2,1-4H3