2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-3-hydroxy-propanoic acid CAS Name: 2-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-3-hydroxypropanoic acid Traditional Name: 2-[3-[(3,4-difluorophenyl)thio]propanoylamino]-3-hydroxy-propionic acid Formula: C12H13F2NO4S MolecularWeight: 305.297726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCC(=O)NC(CO)C(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1SCCC(=O)NC(CO)C(=O)O)F)F

InChI

InChI=1S/C12H13F2NO4S/c13-8-2-1-7(5-9(8)14)20-4-3-11(17)15-10(6-16)12(18)19/h1-2,5,10,16H,3-4,6H2,(H,15,17)(H,18,19)