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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OCC)C

Isomeric SMILES

CCCNC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OCC)C

InChI

InChI=1S/C20H22N2O6S/c1-4-8-21-18(24)16-11(3)15(20(25)26-5-2)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)