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

Systemtic Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 5-nitro-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-nitrothiophene-3-carboxylate Traditional Name: 5-nitro-2-[(1-tosylprolyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O7S2 MolecularWeight: 467.51594

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7S2/c1-3-29-19(24)14-11-16(22(25)26)30-18(14)20-17(23)15-5-4-10-21(15)31(27,28)13-8-6-12(2)7-9-13/h6-9,11,15H,3-5,10H2,1-2H3,(H,20,23)