2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[[2-(difluoromethylthio)phenyl]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-(difluoromethylthio)benzoyl]amino]-3-hydroxy-butyric acid Formula: C12H13F2NO4S MolecularWeight: 305.297726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC=CC=C1SC(F)F)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=CC=CC=C1SC(F)F)O

InChI

InChI=1S/C12H13F2NO4S/c1-6(16)9(11(18)19)15-10(17)7-4-2-3-5-8(7)20-12(13)14/h2-6,9,12,16H,1H3,(H,15,17)(H,18,19)