2-[2-[3-[(1S,5R)-3-(3,4-dichlorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfanidylethyl)amino]ethanoylazanidyl]ethanethiolate; oxidanylidenetechnetium-99(3+)

Systemtic Name: 2-[2-[3-[(1S,5R)-3-(3,4-dichlorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfanidylethyl)amino]ethanoylazanidyl]ethanethiolate; oxidanylidenetechnetium-99(3+) Openeye Name: 2-[2-[3-[(1S,5R)-3-(3,4-dichlorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfidoethyl)amino]acetyl]azanidylethanethiolate; oxotechnetium-99(3+) CAS Name: 2-[2-[3-[(1S,5R)-3-(3,4-dichlorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfidoethyl)amino]-1-oxoethyl]azanidylethanethiolate; oxotechnetium-99(3+) IUPAC Name: 2-[2-[3-[(1S,5R)-3-(3,4-dichlorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfidoethyl)amino]acetyl]azanidylethanethiolate; oxotechnetium-99(3+) Traditional Name: 2-[2-[3-[(1S,5R)-4-carbomethoxy-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfidoethyl)amino]acetyl]azanidylethanethiolate; ketotechnetium-99(3+) Formula: C24H30Cl2N3O4S2Tc MolecularWeight: 658.454955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1N2CCCN(CC[S-])CC(=O)[N-]CC[S-])C3=CC(=C(C=C3)Cl)Cl.O=[Tc+3]

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2CCCN(CC[S-])CC(=O)[N-]CC[S-])C3=CC(=C(C=C3)Cl)Cl.O=[99Tc+3]

InChI

InChI=1S/C24H33Cl2N3O3S2.O.Tc/c1-32-24(31)23-18(16-3-5-19(25)20(26)13-16)14-17-4-6-21(23)29(17)9-2-8-28(10-12-34)15-22(30)27-7-11-33;;/h3,5,13,17,21H,2,4,6-12,14-15H2,1H3,(H3,27,30,33,34);;/q;;+3/p-3/t17-,21+;;/m0../s1/i;;1+1