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

Systemtic Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(1,2-benzothiazol-3-yl)piperazino]-4-keto-butyric acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CCC(=O)O

InChI

InChI=1S/C15H17N3O3S/c19-13(5-6-14(20)21)17-7-9-18(10-8-17)15-11-3-1-2-4-12(11)22-16-15/h1-4H,5-10H2,(H,20,21)