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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

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