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

Systemtic Name: ethyl 3-[2-azanyl-5-(4-fluoranylphenoxy)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: ethyl 3-[2-amino-5-(4-fluorophenoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: 3-[[2-amino-5-(4-fluorophenoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-amino-5-(4-fluorophenoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: 3-[[2-amino-5-(4-fluorophenoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid ethyl ester Formula: C24H24FNO5S MolecularWeight: 457.514463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FNO5S/c1-3-30-24(28)22(27)23(15-4-8-17(29-2)9-5-15)32-21-14-19(12-13-20(21)26)31-18-10-6-16(25)7-11-18/h4-14,22-23,27H,3,26H2,1-2H3