2-azanyl-3-[[3,5-bis(fluoranyl)phenyl]-(3,4-diethylphenyl)methyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[[3,5-bis(fluoranyl)phenyl]-(3,4-diethylphenyl)methyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(3,4-diethylphenyl)-(3,5-difluorophenyl)methyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(3,4-diethylphenyl)-(3,5-difluorophenyl)methyl]thio]propanoic acid IUPAC Name: 2-amino-3-[(3,4-diethylphenyl)-(3,5-difluorophenyl)methyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(3,4-diethylphenyl)-(3,5-difluorophenyl)methyl]thio]propionic acid Formula: C20H23F2NO2S MolecularWeight: 379.463926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(C2=CC(=CC(=C2)F)F)SCC(C(=O)O)N)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(C2=CC(=CC(=C2)F)F)SCC(C(=O)O)N)CC

InChI

InChI=1S/C20H23F2NO2S/c1-3-12-5-6-14(7-13(12)4-2)19(26-11-18(23)20(24)25)15-8-16(21)10-17(22)9-15/h5-10,18-19H,3-4,11,23H2,1-2H3,(H,24,25)