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

Systemtic Name: ethyl 2-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-morpholinosulfonylbenzoyl)amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[(4-morpholinosulfonylbenzoyl)amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C18H19N3O8S2 MolecularWeight: 469.48876

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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)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H19N3O8S2/c1-2-29-18(23)14-11-15(21(24)25)30-17(14)19-16(22)12-3-5-13(6-4-12)31(26,27)20-7-9-28-10-8-20/h3-6,11H,2,7-10H2,1H3,(H,19,22)