2-[carboxymethyl-[2-(phenylmethylsulfanyl)ethyl]amino]ethanoic acid; oxidanylidenetechnetium-99

Systemtic Name: 2-[carboxymethyl-[2-(phenylmethylsulfanyl)ethyl]amino]ethanoic acid; oxidanylidenetechnetium-99 Openeye Name: 2-[2-benzylsulfanylethyl(carboxymethyl)amino]acetic acid; oxotechnetium-99 CAS Name: 2-[carboxymethyl-[2-(phenylmethylthio)ethyl]amino]acetic acid; oxotechnetium-99 IUPAC Name: 2-[2-benzylsulfanylethyl(carboxymethyl)amino]acetic acid; oxotechnetium-99 Traditional Name: 2-[2-(benzylthio)ethyl-(carboxymethyl)amino]acetic acid; ketotechnetium-99 Formula: C13H17NO5STc MolecularWeight: 398.249035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCN(CC(=O)O)CC(=O)O.O=[Tc]

Isomeric SMILES

C1=CC=C(C=C1)CSCCN(CC(=O)O)CC(=O)O.O=[99Tc]

InChI

InChI=1S/C13H17NO4S.O.Tc/c15-12(16)8-14(9-13(17)18)6-7-19-10-11-4-2-1-3-5-11;;/h1-5H,6-10H2,(H,15,16)(H,17,18);;/i;;1+1