ethyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C17H17FN2O7S2 MolecularWeight: 444.454483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H17FN2O7S2/c1-2-27-17(22)13-10-15(20(23)24)28-16(13)19-14(21)4-3-9-29(25,26)12-7-5-11(18)6-8-12/h5-8,10H,2-4,9H2,1H3,(H,19,21)