2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-methyl-butanoic acid

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-methyl-butanoic acid Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-methyl-butanoic acid CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-3-methylbutanoic acid IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-methylbutanoic acid Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazino]-3-methyl-butyric acid Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1CCN(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C(C(=O)O)N1CCN(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H21N3O2S/c1-11(2)14(15(20)21)18-7-9-19(10-8-18)16-17-12-5-3-4-6-13(12)22-16/h3-6,11,14H,7-10H2,1-2H3,(H,20,21)