2-[(1-cyanoindolizin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(1-cyano-2-indolizinyl)methylthio]propanoic acid IUPAC Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(1-cyanoindolizin-2-yl)methylthio]propionic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CN2C=CC=CC2=C1C#N

Isomeric SMILES

CC(C(=O)O)SCC1=CN2C=CC=CC2=C1C#N

InChI

InChI=1S/C13H12N2O2S/c1-9(13(16)17)18-8-10-7-15-5-3-2-4-12(15)11(10)6-14/h2-5,7,9H,8H2,1H3,(H,16,17)