3-[2-azanyl-5-(4-fluoranylphenoxy)phenyl]sulfanyl-3-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-[2-azanyl-5-(4-fluoranylphenoxy)phenyl]sulfanyl-3-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanyl-propanoic acid Openeye Name: 3-[2-amino-5-(4-fluorophenoxy)phenyl]sulfanyl-3-(3-fluoro-4-methoxy-phenyl)-2-hydroxy-propanoic acid CAS Name: 3-[[2-amino-5-(4-fluorophenoxy)phenyl]thio]-3-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoic acid IUPAC Name: 3-[2-amino-5-(4-fluorophenoxy)phenyl]sulfanyl-3-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoic acid Traditional Name: 3-[[2-amino-5-(4-fluorophenoxy)phenyl]thio]-3-(3-fluoro-4-methoxy-phenyl)-2-hydroxy-propionic acid Formula: C22H19F2NO5S MolecularWeight: 447.451766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC(=C2)OC3=CC=C(C=C3)F)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC(=C2)OC3=CC=C(C=C3)F)N)F

InChI

InChI=1S/C22H19F2NO5S/c1-29-18-9-2-12(10-16(18)24)21(20(26)22(27)28)31-19-11-15(7-8-17(19)25)30-14-5-3-13(23)4-6-14/h2-11,20-21,26H,25H2,1H3,(H,27,28)