ethyl 5-nitro-2-[4-(phenylsulfonyl)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-nitro-2-[4-(phenylsulfonyl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-(4-besylbutanoylamino)-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O7S2 MolecularWeight: 426.46402

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S2/c1-2-26-17(21)13-11-15(19(22)23)27-16(13)18-14(20)9-6-10-28(24,25)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,18,20)