methyl (2S,3S)-3-(2-azanyl-5-phenoxy-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl (2S,3S)-3-(2-azanyl-5-phenoxy-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2S,3S)-3-(2-amino-5-phenoxy-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[(2-amino-5-phenoxyphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-(2-amino-5-phenoxyphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[(2-amino-5-phenoxy-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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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=CC=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]([C@H](C(=O)OC)O)SC2=C(C=CC(=C2)OC3=CC=CC=C3)N

InChI

InChI=1S/C23H23NO5S/c1-27-16-10-8-15(9-11-16)22(21(25)23(26)28-2)30-20-14-18(12-13-19(20)24)29-17-6-4-3-5-7-17/h3-14,21-22,25H,24H2,1-2H3/t21-,22+/m1/s1