2-(1,3-benzothiazol-2-ylamino)-4,4-dimethyl-pentanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-4,4-dimethyl-pentanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-4,4-dimethyl-pentanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4,4-dimethyl-valeric acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2S/c1-14(2,3)8-10(12(17)18)16-13-15-9-6-4-5-7-11(9)19-13/h4-7,10H,8H2,1-3H3,(H,15,16)(H,17,18)