[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C18H17ClFNO4S MolecularWeight: 397.848283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl)F

InChI

InChI=1S/C18H17ClFNO4S/c1-24-16-7-2-12(10-15(16)20)18(23)25-11-17(22)21-8-9-26-14-5-3-13(19)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,21,22)