3-[5-[(5-bromanyl-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoic acid

Systemtic Name: 3-[5-[(5-bromanyl-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoic acid Openeye Name: 3-[5-(5-bromo-4-tert-butyl-thiazol-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]propanoic acid CAS Name: 3-[5-[(5-bromo-4-tert-butyl-2-thiazolyl)thio]-1,3,4-thiadiazol-2-yl]propanoic acid IUPAC Name: 3-[5-[(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoic acid Traditional Name: 3-[5-[(5-bromo-4-tert-butyl-thiazol-2-yl)thio]-1,3,4-thiadiazol-2-yl]propionic acid Formula: C12H14BrN3O2S3 MolecularWeight: 408.35746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(SC(=N1)SC2=NN=C(S2)CCC(=O)O)Br

Isomeric SMILES

CC(C)(C)C1=C(SC(=N1)SC2=NN=C(S2)CCC(=O)O)Br

InChI

InChI=1S/C12H14BrN3O2S3/c1-12(2,3)8-9(13)20-10(14-8)21-11-16-15-6(19-11)4-5-7(17)18/h4-5H2,1-3H3,(H,17,18)