2-[(3-cyanophenoxy)methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[(3-cyanophenoxy)methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(3-cyanophenoxy)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(3-cyanophenoxy)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(3-cyanophenoxy)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3-cyanophenoxy)propionic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(COC1=CC=CC(=C1)C#N)C(=O)O

Isomeric SMILES

CC(=O)SCC(COC1=CC=CC(=C1)C#N)C(=O)O

InChI

InChI=1S/C13H13NO4S/c1-9(15)19-8-11(13(16)17)7-18-12-4-2-3-10(5-12)6-14/h2-5,11H,7-8H2,1H3,(H,16,17)