2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate Openeye Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-(2-amino-2-oxo-ethoxy)-3-methoxy-benzoate CAS Name: 4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester IUPAC Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-methoxy-benzoic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester Formula: C19H18F3NO5S MolecularWeight: 429.41013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCCSC2=CC=CC(=C2)C(F)(F)F)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCCSC2=CC=CC(=C2)C(F)(F)F)OCC(=O)N

InChI

InChI=1S/C19H18F3NO5S/c1-26-16-9-12(5-6-15(16)28-11-17(23)24)18(25)27-7-8-29-14-4-2-3-13(10-14)19(20,21)22/h2-6,9-10H,7-8,11H2,1H3,(H2,23,24)