ethyl 5-azanyl-4-cyano-3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H20F3N5O4S MolecularWeight: 483.46411

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N5O4S/c1-2-32-19(29)17-14(13(10-24)18(25)33-17)11-26-5-7-27(8-6-26)15-4-3-12(20(21,22)23)9-16(15)28(30)31/h3-4,9H,2,5-8,11,25H2,1H3