3-[2-azanyl-5-(4-chloranylphenoxy)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-[2-azanyl-5-(4-chloranylphenoxy)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: 3-[2-amino-5-(4-chlorophenoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[[2-amino-5-(4-chlorophenoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[2-amino-5-(4-chlorophenoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[[2-amino-5-(4-chlorophenoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C22H20ClNO5S MolecularWeight: 445.9159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC(=C2)OC3=CC=C(C=C3)Cl)N

Isomeric SMILES

COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC(=C2)OC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C22H20ClNO5S/c1-28-15-6-2-13(3-7-15)21(20(25)22(26)27)30-19-12-17(10-11-18(19)24)29-16-8-4-14(23)5-9-16/h2-12,20-21,25H,24H2,1H3,(H,26,27)