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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-propylthiophene-3-carboxylate Traditional Name: 2-(piperonyloylamino)-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C17H17NO5S/c1-3-4-11-8-12(17(20)21-2)16(24-11)18-15(19)10-5-6-13-14(7-10)23-9-22-13/h5-8H,3-4,9H2,1-2H3,(H,18,19)