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

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-5-methyl-thiophene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-5-methyl-thiophene-3-carboxylic acid CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-methyl-3-thiophenecarboxylic acid IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-5-methylthiophene-3-carboxylic acid Traditional Name: 5-methyl-2-(piperonyloylamino)-3-thenoic acid Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C14H11NO5S/c1-7-4-9(14(17)18)13(21-7)15-12(16)8-2-3-10-11(5-8)20-6-19-10/h2-5H,6H2,1H3,(H,15,16)(H,17,18)