7-[[4-[1-azanyl-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-ylidene]-1,3-dithietan-2-yl]carbonylamino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[4-[1-azanyl-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-ylidene]-1,3-dithietan-2-yl]carbonylamino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[4-(1-carbamoyl-2-hydroxy-2-oxo-ethylidene)-1,3-dithietane-2-carbonyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[[4-(1-amino-3-hydroxy-1,3-dioxopropan-2-ylidene)-1,3-dithietan-2-yl]-oxomethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[4-(1-amino-3-hydroxy-1,3-dioxopropan-2-ylidene)-1,3-dithietane-2-carbonyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[4-(1-carbamoyl-2-hydroxy-2-keto-ethylidene)-1,3-dithietane-2-carbonyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H15N7O7S4 MolecularWeight: 545.593

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)SC2)C(=O)O

InChI

InChI=1S/C16H15N7O7S4/c1-22-16(19-20-21-22)32-3-4-2-31-11-6(10(26)23(11)7(4)13(29)30)18-9(25)15-33-14(34-15)5(8(17)24)12(27)28/h6,11,15H,2-3H2,1H3,(H2,17,24)(H,18,25)(H,27,28)(H,29,30)