2-[(5-cyanoindol-1-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(5-cyanoindol-1-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(5-cyanoindol-1-yl)methylsulfanyl]acetic acid CAS Name: 2-[(5-cyano-1-indolyl)methylthio]acetic acid IUPAC Name: 2-[(5-cyanoindol-1-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(5-cyanoindol-1-yl)methylthio]acetic acid Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CSCC(=O)O)C=C1C#N

Isomeric SMILES

C1=CC2=C(C=CN2CSCC(=O)O)C=C1C#N

InChI

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