2-[4-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)-1-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(5-chloro-2-keto-1,3-benzothiazol-3-yl)acetyl]piperazino]acetic acid Formula: C15H16ClN3O4S MolecularWeight: 369.82324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O

InChI

InChI=1S/C15H16ClN3O4S/c16-10-1-2-12-11(7-10)19(15(23)24-12)8-13(20)18-5-3-17(4-6-18)9-14(21)22/h1-2,7H,3-6,8-9H2,(H,21,22)