ethyl 2-[[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[[1-(4-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[[1-(4-fluorophenyl)sulfonylprolyl]amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C18H18FN3O7S2 MolecularWeight: 471.479823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O7S2/c1-2-29-18(24)13-10-15(22(25)26)30-17(13)20-16(23)14-4-3-9-21(14)31(27,28)12-7-5-11(19)6-8-12/h5-8,10,14H,2-4,9H2,1H3,(H,20,23)