ethyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(piperonyloylamino)thiophene-2-carboxylic acid ethyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C#N)C

InChI

InChI=1S/C17H14N2O5S/c1-3-22-17(21)14-9(2)11(7-18)16(25-14)19-15(20)10-4-5-12-13(6-10)24-8-23-12/h4-6H,3,8H2,1-2H3,(H,19,20)