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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-propyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-5-propylthiophene-3-carboxylate Traditional Name: 2-(piperonyloylamino)-5-propyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-3-5-12-9-13(18(21)22-4-2)17(25-12)19-16(20)11-6-7-14-15(8-11)24-10-23-14/h6-9H,3-5,10H2,1-2H3,(H,19,20)