(2R)-3-(3,4-dimethylphenyl)-2-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2R)-3-(3,4-dimethylphenyl)-2-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-2-benzylsulfanyl-3-(3,4-dimethylphenyl)propanoate CAS Name: (2R)-3-(3,4-dimethylphenyl)-2-(phenylmethylthio)propanoate IUPAC Name: (2R)-2-benzylsulfanyl-3-(3,4-dimethylphenyl)propanoate Traditional Name: (2R)-2-(benzylthio)-3-(3,4-dimethylphenyl)propionate Formula: C18H19O2S- MolecularWeight: 299.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(C(=O)[O-])SCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[C@H](C(=O)[O-])SCC2=CC=CC=C2)C

InChI

InChI=1S/C18H20O2S/c1-13-8-9-16(10-14(13)2)11-17(18(19)20)21-12-15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H,19,20)/p-1/t17-/m1/s1