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

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[(4-fluorobenzyl)amino]-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#N)SC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

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