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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methyl-5-(propylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S/c1-4-7-20-17(23)15-10(2)14(19(24)25-3)18(28-15)21-16(22)11-5-6-12-13(8-11)27-9-26-12/h5-6,8H,4,7,9H2,1-3H3,(H,20,23)(H,21,22)