7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[[4,6-bis(azanyl)-1-ethyl-1,3,5-triazin-1-ium-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[[4,6-bis(azanyl)-1-ethyl-1,3,5-triazin-1-ium-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-3-[(4,6-diamino-1-ethyl-1,3,5-triazin-1-ium-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-3-[[(4,6-diamino-1-ethyl-1,3,5-triazin-1-ium-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-3-[(4,6-diamino-1-ethyl-1,3,5-triazin-1-ium-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-3-[[(4,6-diamino-1-ethyl-s-triazin-1-ium-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C22H26N10O7S3 MolecularWeight: 638.69964

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N=C(N=C1SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC(C)(C)C(=O)O)C4=CSC(=N4)N)SC2)C(=O)[O-])N)N

Isomeric SMILES

CC[N+]1=C(N=C(N=C1SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC(C)(C)C(=O)O)/C4=CSC(=N4)N)SC2)C(=O)[O-])N)N

InChI

InChI=1S/C22H26N10O7S3/c1-4-31-19(24)28-18(23)29-21(31)42-6-8-5-40-15-11(14(34)32(15)12(8)16(35)36)27-13(33)10(9-7-41-20(25)26-9)30-39-22(2,3)17(37)38/h7,11,15H,4-6H2,1-3H3,(H8,23,24,25,26,27,28,33,35,36,37,38)/b30-10+