2-[(1S,3S,4S,5R)-3-(4-chlorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanethiolate; 2-[methyl(2-sulfanidylethyl)amino]ethanethiolate; oxidanylidenetechnetium-99(3+)

Systemtic Name: 2-[(1S,3S,4S,5R)-3-(4-chlorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanethiolate; 2-[methyl(2-sulfanidylethyl)amino]ethanethiolate; oxidanylidenetechnetium-99(3+) Openeye Name: 2-[(1S,3S,4S,5R)-3-(4-chlorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanethiolate; 2-[methyl(2-sulfidoethyl)amino]ethanethiolate; oxotechnetium-99(3+) CAS Name: 2-[(1S,3S,4S,5R)-3-(4-chlorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanethiolate; 2-[methyl(2-sulfidoethyl)amino]ethanethiolate; oxotechnetium-99(3+) IUPAC Name: 2-[(1S,3S,4S,5R)-3-(4-chlorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanethiolate; 2-[methyl(2-sulfidoethyl)amino]ethanethiolate; oxotechnetium-99(3+) Traditional Name: 2-[(1S,3S,4S,5R)-4-carbomethoxy-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanethiolate; ketotechnetium-99(3+); 2-[methyl(2-sulfidoethyl)amino]ethanethiolate Formula: C22H32ClN2O3S3Tc MolecularWeight: 603.055335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC[S-])CC[S-].COC(=O)C1C2CCC(N2CC[S-])CC1C3=CC=C(C=C3)Cl.O=[Tc+3]

Isomeric SMILES

CN(CC[S-])CC[S-].COC(=O)[C@@H]1[C@H]2CC[C@H](N2CC[S-])C[C@@H]1C3=CC=C(C=C3)Cl.O=[99Tc+3]

InChI

InChI=1S/C17H22ClNO2S.C5H13NS2.O.Tc/c1-21-17(20)16-14(11-2-4-12(18)5-3-11)10-13-6-7-15(16)19(13)8-9-22;1-6(2-4-7)3-5-8;;/h2-5,13-16,22H,6-10H2,1H3;7-8H,2-5H2,1H3;;/q;;;+3/p-3/t13-,14+,15+,16-;;;/m0.../s1/i;;;1+1