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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=S)C(C(=O)OC2=C(C=CC(=C2)OC3=CC=C(C=C3)F)N)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=S)C(C(=O)OC2=C(C=CC(=C2)OC3=CC=C(C=C3)F)N)O)F

InChI

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