ethyl 5-nitro-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-nitro-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-nitro-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-nitro-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-nitro-2-[(4-pyrrolidinosulfonylbenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H19N3O7S2 MolecularWeight: 453.48936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H19N3O7S2/c1-2-28-18(23)14-11-15(21(24)25)29-17(14)19-16(22)12-5-7-13(8-6-12)30(26,27)20-9-3-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,19,22)