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

Systemtic Name: methyl 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-3-sulfanylidene-propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H11ClF3NO5S MolecularWeight: 433.78615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C17H11ClF3NO5S/c1-26-16(23)8-15(28)11-7-10(3-4-13(11)22(24)25)27-14-5-2-9(6-12(14)18)17(19,20)21/h2-7H,8H2,1H3