[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-[2-[(2-cyanophenyl)methylthio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-[2-[(2-cyanobenzyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C19H16ClFN2O3S MolecularWeight: 406.858343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)COC(=O)C2=C(C=CC=C2Cl)F)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)COC(=O)C2=C(C=CC=C2Cl)F)C#N

InChI

InChI=1S/C19H16ClFN2O3S/c20-15-6-3-7-16(21)18(15)19(25)26-11-17(24)23-8-9-27-12-14-5-2-1-4-13(14)10-22/h1-7H,8-9,11-12H2,(H,23,24)