6-(dimethylcarbamoylsulfanyl)-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-(dimethylcarbamoylsulfanyl)-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 6-(dimethylcarbamoylsulfanyl)-3-methyl-benzofuran-2-carboxylic acid CAS Name: 6-[[dimethylamino(oxo)methyl]thio]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 6-(dimethylcarbamoylsulfanyl)-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 6-(dimethylcarbamoylthio)-3-methyl-coumarilic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)SC(=O)N(C)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)SC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C13H13NO4S/c1-7-9-5-4-8(19-13(17)14(2)3)6-10(9)18-11(7)12(15)16/h4-6H,1-3H3,(H,15,16)