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

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylcarbonylamino)-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-(1,3-benzodioxole-5-carbonylamino)-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-(piperonyloylamino)thiophene-2-carboxylic acid methyl ester Formula: C20H15NO5S MolecularWeight: 381.4018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO5S/c1-24-20(23)18-14(10-17(27-18)12-5-3-2-4-6-12)21-19(22)13-7-8-15-16(9-13)26-11-25-15/h2-10H,11H2,1H3,(H,21,22)