5-(1-benzofuran-3-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(1-benzofuran-3-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(benzofuran-3-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid CAS Name: 5-(3-benzofuranyl)-3-[(2,4-dimethylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(1-benzofuran-3-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-(benzofuran-3-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]-2-thenoic acid Formula: C21H17NO5S2 MolecularWeight: 427.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=COC4=CC=CC=C43)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=COC4=CC=CC=C43)C(=O)O)C

InChI

InChI=1S/C21H17NO5S2/c1-12-7-8-19(13(2)9-12)29(25,26)22-16-10-18(28-20(16)21(23)24)15-11-27-17-6-4-3-5-14(15)17/h3-11,22H,1-2H3,(H,23,24)