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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-(butylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-(butylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-[butylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-(butylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(butylcarbamoyl)-4-methyl-2-(piperonyloylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC)C

Isomeric SMILES

CCCCNC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC)C

InChI

InChI=1S/C20H22N2O6S/c1-4-5-8-21-18(24)16-11(2)15(20(25)26-3)19(29-16)22-17(23)12-6-7-13-14(9-12)28-10-27-13/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,24)(H,22,23)