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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(dimethylamino)-3-nitro-phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(dimethylamino)-3-nitro-benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-(dimethylamino)-3-nitrophenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(dimethylamino)-3-nitrobenzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(dimethylamino)-3-nitro-benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S/c1-4-27-18(24)15-12(11(8-19)16(20)29-15)9-28-17(23)10-5-6-13(21(2)3)14(7-10)22(25)26/h5-7H,4,9,20H2,1-3H3