2-(1,3-benzodioxol-5-ylcarbonylamino)-5-ethyl-thiophene-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-ethyl-thiophene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-5-ethyl-thiophene-3-carboxylic acid CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-5-ethylthiophene-3-carboxylic acid Traditional Name: 5-ethyl-2-(piperonyloylamino)-3-thenoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C15H13NO5S/c1-2-9-6-10(15(18)19)14(22-9)16-13(17)8-3-4-11-12(5-8)21-7-20-11/h3-6H,2,7H2,1H3,(H,16,17)(H,18,19)