(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoic acid

Systemtic Name: (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoic acid Openeye Name: (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoic acid CAS Name: (2S)-2-[(4-methoxyphenyl)methylthio]-4-phenylbutanoic acid IUPAC Name: (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylbutanoic acid Traditional Name: (2S)-2-(p-anisylthio)-4-phenyl-butyric acid Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CS[C@@H](CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20O3S/c1-21-16-10-7-15(8-11-16)13-22-17(18(19)20)12-9-14-5-3-2-4-6-14/h2-8,10-11,17H,9,12-13H2,1H3,(H,19,20)/t17-/m0/s1