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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(piperonyloylamino)thiophene-2-carboxylic acid methyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O5S/c1-8-10(6-17)15(24-13(8)16(20)21-2)18-14(19)9-3-4-11-12(5-9)23-7-22-11/h3-5H,7H2,1-2H3,(H,18,19)