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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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