2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-4-methyl-pentanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-4-methyl-pentanoic acid CAS Name: 2-[2-(1,3-benzothiazol-2-ylthio)ethyl]-4-methylpentanoic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-4-methylpentanoic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-ylthio)ethyl]-4-methyl-valeric acid Formula: C15H19NO2S2 MolecularWeight: 309.44686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCSC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CC(C)CC(CCSC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C15H19NO2S2/c1-10(2)9-11(14(17)18)7-8-19-15-16-12-5-3-4-6-13(12)20-15/h3-6,10-11H,7-9H2,1-2H3,(H,17,18)