[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]benzoate

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]benzoate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 2-[4-(difluoromethylsulfanyl)anilino]benzoate CAS Name: 2-[4-(difluoromethylthio)anilino]benzoic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 2-[4-(difluoromethylsulfanyl)anilino]benzoate Traditional Name: 2-[4-(difluoromethylthio)anilino]benzoic acid [2-(3,4-dichloroanilino)-2-keto-ethyl] ester Formula: C22H16Cl2F2N2O3S MolecularWeight: 497.341846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)Cl)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)Cl)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C22H16Cl2F2N2O3S/c23-17-10-7-14(11-18(17)24)28-20(29)12-31-21(30)16-3-1-2-4-19(16)27-13-5-8-15(9-6-13)32-22(25)26/h1-11,22,27H,12H2,(H,28,29)