2-(1,3-benzodioxol-5-yl)ethylsulfanyl 2-cyanoethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCSOC(=O)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCSOC(=O)CC#N

InChI

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