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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)O)NC1=NSC2=CC=CC=C21

Isomeric SMILES

CC(C)(C)CC(C(=O)O)NC1=NSC2=CC=CC=C21

InChI

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