3-[1,3-benzothiazol-2-yl-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate Openeye Name: 3-[1,3-benzothiazol-2-yl-(3-oxido-3-oxo-propyl)amino]propanoate CAS Name: 3-[1,3-benzothiazol-2-yl-(3-oxido-3-oxopropyl)amino]propanoate IUPAC Name: 3-[1,3-benzothiazol-2-yl-(3-oxido-3-oxopropyl)amino]propanoate Traditional Name: 3-[1,3-benzothiazol-2-yl-(3-keto-3-oxido-propyl)amino]propionate Formula: C13H12N2O4S-2 MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C13H14N2O4S/c16-11(17)5-7-15(8-6-12(18)19)13-14-9-3-1-2-4-10(9)20-13/h1-4H,5-8H2,(H,16,17)(H,18,19)/p-2