[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C23H17FN2O3S MolecularWeight: 420.456083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)F)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)F)SCC3=CC=C(C=C3)C#N

InChI

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