methyl (2S)-2-azanyl-3-[3,5-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[3,5-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]propanoate Openeye Name: methyl (2S)-2-amino-3-[3,5-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]propanoate CAS Name: (2S)-2-amino-3-[3,5-dimethoxy-2-[(4-methoxyphenyl)methylthio]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[3,5-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]propanoate Traditional Name: (2S)-2-amino-3-[3,5-dimethoxy-2-(p-anisylthio)phenyl]propionic acid methyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2CC(C(=O)OC)N)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2C[C@@H](C(=O)OC)N)OC)OC

InChI

InChI=1S/C20H25NO5S/c1-23-15-7-5-13(6-8-15)12-27-19-14(10-17(21)20(22)26-4)9-16(24-2)11-18(19)25-3/h5-9,11,17H,10,12,21H2,1-4H3/t17-/m0/s1