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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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