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

Systemtic Name: 4-azanyl-2-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[(3,4-difluorophenyl)thio]acetyl]amino]-4-keto-butyric acid Formula: C12H12F2N2O4S MolecularWeight: 318.296486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCC(=O)NC(CC(=O)N)C(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1SCC(=O)NC(CC(=O)N)C(=O)O)F)F

InChI

InChI=1S/C12H12F2N2O4S/c13-7-2-1-6(3-8(7)14)21-5-11(18)16-9(12(19)20)4-10(15)17/h1-3,9H,4-5H2,(H2,15,17)(H,16,18)(H,19,20)