ethyl 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-3-sulfanylidene-propanoate

Systemtic Name: ethyl 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-3-sulfanylidene-propanoate Openeye Name: ethyl 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-3-thioxo-propanoate CAS Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-3-sulfanylidenepropanoic acid ethyl ester IUPAC Name: ethyl 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-3-sulfanylidenepropanoate Traditional Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-3-thioxo-propionic acid ethyl ester Formula: C18H13ClF3NO5S MolecularWeight: 447.81273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClF3NO5S/c1-2-27-17(24)9-16(29)12-8-11(4-5-14(12)23(25)26)28-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3