2-(1,3-benzodioxol-5-ylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 4,5-dimethyl-2-(piperonyloylamino)-3-thenoic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

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