ethyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18F3N3O5S MolecularWeight: 421.39143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18F3N3O5S/c1-2-27-15(24)21-7-5-20(6-8-21)14(23)10-28-13-4-3-11(16(17,18)19)9-12(13)22(25)26/h3-4,9H,2,5-8,10H2,1H3