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

Systemtic Name: S-ethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioate Openeye Name: S-ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethanethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethanethioate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioic acid S-ethyl ester Formula: C17H13ClF3NO4S MolecularWeight: 419.80263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCSC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClF3NO4S/c1-2-27-16(23)8-10-7-12(4-5-14(10)22(24)25)26-15-6-3-11(9-13(15)18)17(19,20)21/h3-7,9H,2,8H2,1H3