3-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid CAS Name: 3-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 3-[(7-chloropiperonyloyl)amino]-2-thenoic acid Formula: C13H8ClNO5S MolecularWeight: 325.72432

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NC3=C(SC=C3)C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NC3=C(SC=C3)C(=O)O)Cl

InChI

InChI=1S/C13H8ClNO5S/c14-7-3-6(4-9-10(7)20-5-19-9)12(16)15-8-1-2-21-11(8)13(17)18/h1-4H,5H2,(H,15,16)(H,17,18)