(5-cyano-2-fluoranyl-phenyl)methyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]benzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(m-anisidino)ethyl]thio]benzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C24H19FN2O4S MolecularWeight: 450.482063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C24H19FN2O4S/c1-30-19-6-4-5-18(12-19)27-23(28)15-32-22-8-3-2-7-20(22)24(29)31-14-17-11-16(13-26)9-10-21(17)25/h2-12H,14-15H2,1H3,(H,27,28)