3-tert-butyl-4-(dimethylcarbamoylsulfanyl)benzoic acid

Systemtic Name: 3-tert-butyl-4-(dimethylcarbamoylsulfanyl)benzoic acid Openeye Name: 3-tert-butyl-4-(dimethylcarbamoylsulfanyl)benzoic acid CAS Name: 3-tert-butyl-4-[[dimethylamino(oxo)methyl]thio]benzoic acid IUPAC Name: 3-tert-butyl-4-(dimethylcarbamoylsulfanyl)benzoic acid Traditional Name: 3-tert-butyl-4-(dimethylcarbamoylthio)benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(=O)O)SC(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(=O)O)SC(=O)N(C)C

InChI

InChI=1S/C14H19NO3S/c1-14(2,3)10-8-9(12(16)17)6-7-11(10)19-13(18)15(4)5/h6-8H,1-5H3,(H,16,17)