4-(dimethylaminomethyl)-2-(4-methylphenyl)sulfanyl-5-oxidanyl-1-benzofuran-3-carboxylic acid

Systemtic Name: 4-(dimethylaminomethyl)-2-(4-methylphenyl)sulfanyl-5-oxidanyl-1-benzofuran-3-carboxylic acid Openeye Name: 4-(dimethylaminomethyl)-5-hydroxy-2-(p-tolylsulfanyl)benzofuran-3-carboxylic acid CAS Name: 4-(dimethylaminomethyl)-5-hydroxy-2-[(4-methylphenyl)thio]-3-benzofurancarboxylic acid IUPAC Name: 4-(dimethylaminomethyl)-5-hydroxy-2-(4-methylphenyl)sulfanyl-1-benzofuran-3-carboxylic acid Traditional Name: 4-(dimethylaminomethyl)-5-hydroxy-2-(p-tolylthio)benzofuran-3-carboxylic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C3=C(O2)C=CC(=C3CN(C)C)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C3=C(O2)C=CC(=C3CN(C)C)O)C(=O)O

InChI

InChI=1S/C19H19NO4S/c1-11-4-6-12(7-5-11)25-19-17(18(22)23)16-13(10-20(2)3)14(21)8-9-15(16)24-19/h4-9,21H,10H2,1-3H3,(H,22,23)