2-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(2-tert-butylthiazol-4-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(2-tert-butyl-4-thiazolyl)methylthio]benzoic acid IUPAC Name: 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(2-tert-butylthiazol-4-yl)methylthio]benzoic acid Formula: C15H17NO2S2 MolecularWeight: 307.43098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CS1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=CS1)CSC2=CC=CC=C2C(=O)O

InChI

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