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

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-4-(p-tolyl)thiophene-3-carboxylic acid CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylic acid Traditional Name: 2-(piperonyloylamino)-4-(p-tolyl)-3-thenoic acid Formula: C20H15NO5S MolecularWeight: 381.4018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H15NO5S/c1-11-2-4-12(5-3-11)14-9-27-19(17(14)20(23)24)21-18(22)13-6-7-15-16(8-13)26-10-25-15/h2-9H,10H2,1H3,(H,21,22)(H,23,24)