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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC=CC=C4

InChI

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