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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

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