(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-pentanoic acid Openeye Name: (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-pentanoic acid CAS Name: (2S)-2-[(4-methoxyphenyl)methylthio]-3-methylpentanoic acid IUPAC Name: (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpentanoic acid Traditional Name: (2S)-3-methyl-2-(p-anisylthio)valeric acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C14H20O3S/c1-4-10(2)13(14(15)16)18-9-11-5-7-12(17-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)/t10?,13-/m0/s1