2-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[(3,4-difluorophenyl)thio]acetyl]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)CSC1=CC(=C(C=C1)F)F)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CSC1=CC(=C(C=C1)F)F)O

InChI

InChI=1S/C12H13F2NO4S/c1-6(16)11(12(18)19)15-10(17)5-20-7-2-3-8(13)9(14)4-7/h2-4,6,11,16H,5H2,1H3,(H,15,17)(H,18,19)