5-[2-[(4-methylsulfanylphenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[2-[(4-methylsulfanylphenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-[(4-methylsulfanylphenyl)sulfonylamino]ethyl]benzofuran-2-carboxylic acid CAS Name: 5-[2-[[4-(methylthio)phenyl]sulfonylamino]ethyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[2-[(4-methylsulfanylphenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-[[4-(methylthio)phenyl]sulfonylamino]ethyl]coumarilic acid Formula: C18H17NO5S2 MolecularWeight: 391.46128

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C2)OC(=C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C2)OC(=C3)C(=O)O

InChI

InChI=1S/C18H17NO5S2/c1-25-14-3-5-15(6-4-14)26(22,23)19-9-8-12-2-7-16-13(10-12)11-17(24-16)18(20)21/h2-7,10-11,19H,8-9H2,1H3,(H,20,21)