[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H14N2O5S/c1-9-10(2)25-16(12(9)6-18)19-15(20)7-22-17(21)11-3-4-13-14(5-11)24-8-23-13/h3-5H,7-8H2,1-2H3,(H,19,20)