[2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-[4-(difluoromethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-[4-(difluoromethylthio)anilino]-2-keto-ethyl] ester Formula: C18H12ClF2NO4S MolecularWeight: 411.806986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)SC(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)SC(F)F

InChI

InChI=1S/C18H12ClF2NO4S/c19-11-1-6-14-10(7-11)8-15(26-14)17(24)25-9-16(23)22-12-2-4-13(5-3-12)27-18(20)21/h1-8,18H,9H2,(H,22,23)