3-[(1-cyanoindolizin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(1-cyanoindolizin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(1-cyanoindolizin-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(1-cyano-2-indolizinyl)methylthio]propanoic acid IUPAC Name: 3-[(1-cyanoindolizin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(1-cyanoindolizin-2-yl)methylthio]propionic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)CSCCC(=O)O)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)CSCCC(=O)O)C#N

InChI

InChI=1S/C13H12N2O2S/c14-7-11-10(9-18-6-4-13(16)17)8-15-5-2-1-3-12(11)15/h1-3,5,8H,4,6,9H2,(H,16,17)