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

Systemtic Name: ethyl 2-[4-(4-methylphenyl)sulfonylbutanoylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 5-nitro-2-[4-(p-tolylsulfonyl)butanoylamino]thiophene-3-carboxylate CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylphenyl)sulfonylbutanoylamino]-5-nitrothiophene-3-carboxylate Traditional Name: 5-nitro-2-(4-tosylbutanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O7S2 MolecularWeight: 440.4906

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7S2/c1-3-27-18(22)14-11-16(20(23)24)28-17(14)19-15(21)5-4-10-29(25,26)13-8-6-12(2)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,19,21)