4-[(4-tert-butylphenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-tert-butylphenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-tert-butylphenyl)sulfanylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[[(4-tert-butylphenyl)thio]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-tert-butylphenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[(4-tert-butylphenyl)thio]methyl]thiazole-2-carboxylic acid Formula: C15H17NO2S2 MolecularWeight: 307.43098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=CSC(=N2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C15H17NO2S2/c1-15(2,3)10-4-6-12(7-5-10)19-8-11-9-20-13(16-11)14(17)18/h4-7,9H,8H2,1-3H3,(H,17,18)