methyl 3-[2-azanyl-5-(4-chloranylphenoxy)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl 3-[2-azanyl-5-(4-chloranylphenoxy)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl 3-[2-amino-5-(4-chlorophenoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: 3-[[2-amino-5-(4-chlorophenoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[2-amino-5-(4-chlorophenoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: 3-[[2-amino-5-(4-chlorophenoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C23H22ClNO5S MolecularWeight: 459.94248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO5S/c1-28-16-7-3-14(4-8-16)22(21(26)23(27)29-2)31-20-13-18(11-12-19(20)25)30-17-9-5-15(24)6-10-17/h3-13,21-22,26H,25H2,1-2H3