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

Systemtic Name: 2-[2-azanyl-5-(4-fluoranylphenoxy)phenyl]-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid Openeye Name: 2-[2-amino-5-(4-fluorophenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propanoic acid CAS Name: 2-[2-amino-5-(4-fluorophenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid IUPAC Name: 2-[2-amino-5-(4-fluorophenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid Traditional Name: 2-[2-amino-5-(4-fluorophenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propionic acid Formula: C22H18FNO5S MolecularWeight: 427.445423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FNO5S/c1-28-15-6-2-13(3-7-15)20(30)22(27,21(25)26)18-12-17(10-11-19(18)24)29-16-8-4-14(23)5-9-16/h2-12,27H,24H2,1H3,(H,25,26)