2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]-2-cyano-ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]-2-cyano-ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]-2-cyano-acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethylthio]-2-cyanoacetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]-2-cyanoacetic acid Traditional Name: 2-cyano-2-(homopiperonylthio)acetic acid Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCSC(C#N)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCSC(C#N)C(=O)O

InChI

InChI=1S/C12H11NO4S/c13-6-11(12(14)15)18-4-3-8-1-2-9-10(5-8)17-7-16-9/h1-2,5,11H,3-4,7H2,(H,14,15)