2-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-thiazolyl]thio]acetic acid IUPAC Name: 2-[[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-2-yl]thio]acetic acid Formula: C19H25NO3S2 MolecularWeight: 379.5367

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)SCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)SCC(=O)O

InChI

InChI=1S/C19H25NO3S2/c1-18(2,3)12-7-11(8-13(16(12)23)19(4,5)6)14-9-24-17(20-14)25-10-15(21)22/h7-9,23H,10H2,1-6H3,(H,21,22)