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

Systemtic Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]acetic acid CAS Name: 2-[(1-cyano-2-indolizinyl)methylthio]acetic acid IUPAC Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(1-cyanoindolizin-2-yl)methylthio]acetic acid Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O2S/c13-5-10-9(7-17-8-12(15)16)6-14-4-2-1-3-11(10)14/h1-4,6H,7-8H2,(H,15,16)