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

Systemtic Name: 2-[2-azanyl-5-(4-fluoranylphenoxy)phenyl]-3-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid Openeye Name: 2-[2-amino-5-(4-fluorophenoxy)phenyl]-3-(3-fluoro-4-methoxy-phenyl)-2-hydroxy-3-thioxo-propanoic acid CAS Name: 2-[2-amino-5-(4-fluorophenoxy)phenyl]-3-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-sulfanylidenepropanoic acid IUPAC Name: 2-[2-amino-5-(4-fluorophenoxy)phenyl]-3-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-sulfanylidenepropanoic acid Traditional Name: 2-[2-amino-5-(4-fluorophenoxy)phenyl]-3-(3-fluoro-4-methoxy-phenyl)-2-hydroxy-3-thioxo-propionic acid Formula: C22H17F2NO5S MolecularWeight: 445.435886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17F2NO5S/c1-29-19-9-2-12(10-17(19)24)20(31)22(28,21(26)27)16-11-15(7-8-18(16)25)30-14-5-3-13(23)4-6-14/h2-11,28H,25H2,1H3,(H,26,27)