oxidanylidenetechnetium(4+); 2-[3-oxidanyl-2-[(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-id-3-yl)carbonylazanidyl]butanoyl]azanidylethanethiolate

Systemtic Name: oxidanylidenetechnetium(4+); 2-[3-oxidanyl-2-[(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-id-3-yl)carbonylazanidyl]butanoyl]azanidylethanethiolate Openeye Name: 2-[3-hydroxy-2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-ide-3-carbonyl)azanidyl-butanoyl]azanidylethanethiolate; oxotechnetium(4+) CAS Name: 2-[3-hydroxy-2-[(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-id-3-yl)-oxomethyl]azanidyl-1-oxobutyl]azanidylethanethiolate; oxotechnetium(4+) IUPAC Name: 2-[3-hydroxy-2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-ide-3-carbonyl)azanidylbutanoyl]azanidylethanethiolate; oxotechnetium(4+) Traditional Name: 2-[3-hydroxy-2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-ide-3-carbonyl)azanidyl-butanoyl]azanidylethanethiolate; ketotechnetium(4+) Formula: C16H19N3O5STc MolecularWeight: 463.311376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[N-]CC[S-])[N-]C(=O)C1CC2=C(C[N-]1)C=C(C=C2)O)O.O=[Tc+4]

Isomeric SMILES

CC(C(C(=O)[N-]CC[S-])[N-]C(=O)C1CC2=C(C[N-]1)C=C(C=C2)O)O.O=[Tc+4]

InChI

InChI=1S/C16H22N3O4S.O.Tc/c1-9(20)14(16(23)17-4-5-24)19-15(22)13-7-10-2-3-12(21)6-11(10)8-18-13;;/h2-3,6,9,13-14,20H,4-5,7-8H2,1H3,(H4,17,19,21,22,23,24);;/q-1;;+4/p-3