(3S)-3-(3-methylbutylsulfanyl)-3-phenyl-propanoic acid

Systemtic Name: (3S)-3-(3-methylbutylsulfanyl)-3-phenyl-propanoic acid Openeye Name: (3S)-3-isopentylsulfanyl-3-phenyl-propanoic acid CAS Name: (3S)-3-(3-methylbutylthio)-3-phenylpropanoic acid IUPAC Name: (3S)-3-(3-methylbutylsulfanyl)-3-phenylpropanoic acid Traditional Name: (3S)-3-(isoamylthio)-3-phenyl-propionic acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC(CC(=O)O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CCS[C@@H](CC(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C14H20O2S/c1-11(2)8-9-17-13(10-14(15)16)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16)/t13-/m0/s1