2-azanyl-3-[(4-chlorophenyl)-(3,4-diethyl-2-fluoranyl-phenyl)methyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[(4-chlorophenyl)-(3,4-diethyl-2-fluoranyl-phenyl)methyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(4-chlorophenyl)-(3,4-diethyl-2-fluoro-phenyl)methyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(4-chlorophenyl)-(3,4-diethyl-2-fluorophenyl)methyl]thio]propanoic acid IUPAC Name: 2-amino-3-[(4-chlorophenyl)-(3,4-diethyl-2-fluorophenyl)methyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(4-chlorophenyl)-(3,4-diethyl-2-fluoro-phenyl)methyl]thio]propionic acid Formula: C20H23ClFNO2S MolecularWeight: 395.918523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClFNO2S/c1-3-12-7-10-16(18(22)15(12)4-2)19(26-11-17(23)20(24)25)13-5-8-14(21)9-6-13/h5-10,17,19H,3-4,11,23H2,1-2H3,(H,24,25)