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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-methyl-5-[oxo-(phenethylamino)methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-5-(phenethylcarbamoyl)-2-(piperonyloylamino)thiophene-3-carboxylic acid methyl ester Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O6S/c1-14-19(24(29)30-2)23(26-21(27)16-8-9-17-18(12-16)32-13-31-17)33-20(14)22(28)25-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,25,28)(H,26,27)