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

Systemtic Name: methyl 4-aminocarbonyl-5-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-carbamoyl-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxole-5-carbonylamino)-4-carbamoyl-3-methylthiophene-2-carboxylate Traditional Name: 4-carbamoyl-3-methyl-5-(piperonyloylamino)thiophene-2-carboxylic acid methyl ester Formula: C16H14N2O6S MolecularWeight: 362.35716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6S/c1-7-11(13(17)19)15(25-12(7)16(21)22-2)18-14(20)8-3-4-9-10(5-8)24-6-23-9/h3-5H,6H2,1-2H3,(H2,17,19)(H,18,20)