[(1R)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [(1R)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [(1R)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [(1R)-2-amino-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C22H15FN2O3S MolecularWeight: 406.429503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)O[C@H](C3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C22H15FN2O3S/c23-16-11-9-14(10-12-16)20(21(25)26)28-22(27)17-6-2-4-8-19(17)29-18-7-3-1-5-15(18)13-24/h1-12,20H,(H2,25,26)/t20-/m1/s1