ethyl 5-azanyl-4-cyano-3-[[2-(diethylamino)-5-nitro-phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2-(diethylamino)-5-nitro-phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(diethylamino)-5-nitro-benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[2-(diethylamino)-5-nitrophenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(diethylamino)-5-nitrobenzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(diethylamino)-5-nitro-benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C20H22N4O6S/c1-4-23(5-2)16-8-7-12(24(27)28)9-13(16)19(25)30-11-15-14(10-21)18(22)31-17(15)20(26)29-6-3/h7-9H,4-6,11,22H2,1-3H3