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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-(piperonyloylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO6S/c1-3-27-22(25)19-16(13-4-7-15(26-2)8-5-13)11-30-21(19)23-20(24)14-6-9-17-18(10-14)29-12-28-17/h4-11H,3,12H2,1-2H3,(H,23,24)