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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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