2-[(4-cyanophenyl)methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-cyanophenyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-cyanophenyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-cyanophenyl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-cyanophenyl)propionic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=C(C=C1)C#N)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=C(C=C1)C#N)C(=O)O

InChI

InChI=1S/C13H13NO3S/c1-9(15)18-8-12(13(16)17)6-10-2-4-11(7-14)5-3-10/h2-5,12H,6,8H2,1H3,(H,16,17)