methyl (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoate Openeye Name: methyl (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoate CAS Name: (2S)-2-[(4-methoxyphenyl)methylthio]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylbutanoate Traditional Name: (2S)-2-(p-anisylthio)-4-phenyl-butyric acid methyl ester Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O3S/c1-21-17-11-8-16(9-12-17)14-23-18(19(20)22-2)13-10-15-6-4-3-5-7-15/h3-9,11-12,18H,10,13-14H2,1-2H3/t18-/m0/s1