2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[1,3-benzothiazol-6-yl(oxo)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazino]acetic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C14H15N3O3S/c18-13(19)8-16-3-5-17(6-4-16)14(20)10-1-2-11-12(7-10)21-9-15-11/h1-2,7,9H,3-6,8H2,(H,18,19)