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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(piperonyloylamino)-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19NO5S/c1-3-26-22(25)19-16(14-6-4-13(2)5-7-14)11-29-21(19)23-20(24)15-8-9-17-18(10-15)28-12-27-17/h4-11H,3,12H2,1-2H3,(H,23,24)