2-azanyl-3-[3,4-bis(fluoranyl)phenyl]-4-oxidanylidene-2-(sulfanylmethyl)heptanoic acid

Systemtic Name: 2-azanyl-3-[3,4-bis(fluoranyl)phenyl]-4-oxidanylidene-2-(sulfanylmethyl)heptanoic acid Openeye Name: 2-amino-3-(3,4-difluorophenyl)-4-oxo-2-(sulfanylmethyl)heptanoic acid CAS Name: 2-amino-3-(3,4-difluorophenyl)-2-(mercaptomethyl)-4-oxoheptanoic acid IUPAC Name: 2-amino-3-(3,4-difluorophenyl)-4-oxo-2-(sulfanylmethyl)heptanoic acid Traditional Name: 2-amino-3-(3,4-difluorophenyl)-4-keto-2-(mercaptomethyl)enanthic acid Formula: C14H17F2NO3S MolecularWeight: 317.351486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C1=CC(=C(C=C1)F)F)C(CS)(C(=O)O)N

Isomeric SMILES

CCCC(=O)C(C1=CC(=C(C=C1)F)F)C(CS)(C(=O)O)N

InChI

InChI=1S/C14H17F2NO3S/c1-2-3-11(18)12(14(17,7-21)13(19)20)8-4-5-9(15)10(16)6-8/h4-6,12,21H,2-3,7,17H2,1H3,(H,19,20)