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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 4-phenyl-2-(piperonyloylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO5S/c1-2-25-21(24)18-15(13-6-4-3-5-7-13)11-28-20(18)22-19(23)14-8-9-16-17(10-14)27-12-26-16/h3-11H,2,12H2,1H3,(H,22,23)