2-tert-butyl-4-methylsulfanyl-1,3-benzoxazole-7-carboxylic acid

Systemtic Name: 2-tert-butyl-4-methylsulfanyl-1,3-benzoxazole-7-carboxylic acid Openeye Name: 2-tert-butyl-4-methylsulfanyl-1,3-benzoxazole-7-carboxylic acid CAS Name: 2-tert-butyl-4-(methylthio)-1,3-benzoxazole-7-carboxylic acid IUPAC Name: 2-tert-butyl-4-methylsulfanyl-1,3-benzoxazole-7-carboxylic acid Traditional Name: 2-tert-butyl-4-(methylthio)-1,3-benzoxazole-7-carboxylic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=CC(=C2O1)C(=O)O)SC

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=CC(=C2O1)C(=O)O)SC

InChI

InChI=1S/C13H15NO3S/c1-13(2,3)12-14-9-8(18-4)6-5-7(11(15)16)10(9)17-12/h5-6H,1-4H3,(H,15,16)