2-(ethylsulfanylmethyl)-3-phenyl-propanoic acid

Systemtic Name: 2-(ethylsulfanylmethyl)-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-ethylsulfanyl-propanoic acid CAS Name: 2-[(ethylthio)methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-ethylsulfanylpropanoic acid Traditional Name: 2-benzyl-3-(ethylthio)propionic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCSCC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H16O2S/c1-2-15-9-11(12(13)14)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,13,14)