tert-butyl 7-azanyl-3-[(4-methyl-5-oxidanylidene-1,2-dihydro-1,2,4-triazol-4-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-azanyl-3-[(4-methyl-5-oxidanylidene-1,2-dihydro-1,2,4-triazol-4-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-amino-3-[(4-methyl-5-oxo-1,2-dihydro-1,2,4-triazol-4-ium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[(4-methyl-5-oxo-1,2-dihydro-1,2,4-triazol-4-ium-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-amino-3-[(4-methyl-5-oxo-1,2-dihydro-1,2,4-triazol-4-ium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[[(5-keto-4-methyl-1,2-dihydro-1,2,4-triazol-4-ium-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C15H22N5O4S2+ MolecularWeight: 400.49628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2N)CSC3=[N+](C(=O)NN3)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2N)CSC3=[N+](C(=O)NN3)C

InChI

InChI=1S/C15H21N5O4S2/c1-15(2,3)24-12(22)9-7(5-25-11-8(16)10(21)20(9)11)6-26-14-18-17-13(23)19(14)4/h8,11H,5-6,16H2,1-4H3,(H,17,23)/p+1