S-[2-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonylamino]ethyl] ethanethioate

Systemtic Name: S-[2-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonylamino]ethyl] ethanethioate Openeye Name: S-[2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]amino]ethyl] ester Formula: C18H14ClF3N2O5S MolecularWeight: 462.82737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCNC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCCNC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClF3N2O5S/c1-10(25)30-7-6-23-17(26)13-9-12(3-4-15(13)24(27)28)29-16-5-2-11(8-14(16)19)18(20,21)22/h2-5,8-9H,6-7H2,1H3,(H,23,26)