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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazino]acetic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H15N3O2S/c17-12(18)9-15-5-7-16(8-6-15)13-14-10-3-1-2-4-11(10)19-13/h1-4H,5-9H2,(H,17,18)