5-[(E)-N-(1,3-benzodioxol-5-ylcarbonylamino)-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(E)-N-(1,3-benzodioxol-5-ylcarbonylamino)-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(E)-N-(1,3-benzodioxole-5-carbonylamino)-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid CAS Name: 5-[(1E)-1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(E)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(E)-C-methyl-N-(piperonyloylamino)carbonimidoyl]-2-thenoic acid Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(S3)C(=O)O

Isomeric SMILES

C/C(=N\NC(=O)C1=CC2=C(C=C1)OCO2)/C3=CC=C(S3)C(=O)O

InChI

InChI=1S/C15H12N2O5S/c1-8(12-4-5-13(23-12)15(19)20)16-17-14(18)9-2-3-10-11(6-9)22-7-21-10/h2-6H,7H2,1H3,(H,17,18)(H,19,20)/b16-8+