2-(1,3-benzothiazol-2-ylamino)-2-methyl-pentanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-2-methyl-pentanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-2-methyl-pentanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylamino)-2-methylpentanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-2-methylpentanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-2-methyl-valeric acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCC(C)(C(=O)O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H16N2O2S/c1-3-8-13(2,11(16)17)15-12-14-9-6-4-5-7-10(9)18-12/h4-7H,3,8H2,1-2H3,(H,14,15)(H,16,17)