(4-cyanophenyl)methyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-cyanophenyl)methyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-cyanophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]benzoic acid (4-cyanobenzyl) ester Formula: C23H17FN2O3S MolecularWeight: 420.456083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C23H17FN2O3S/c24-18-9-11-19(12-10-18)26-22(27)15-30-21-4-2-1-3-20(21)23(28)29-14-17-7-5-16(13-25)6-8-17/h1-12H,14-15H2,(H,26,27)