7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-diazanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[[2-(1-hydroxyethyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-diazanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[[2-(1-hydroxyethyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-hydrazino-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-3-[[2-(1-hydroxyethyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-3-[[[2-(1-hydroxyethyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-3-[[2-(1-hydroxyethyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-hydrazino-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-3-[[[2-(1-hydroxyethyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C26H31N11O7S3 MolecularWeight: 705.78884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=NC(=N2)C(C)O)N=C1C)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOC(C)(C)C(=O)NN)C5=CSC(=N5)N)SC3)C(=O)O

Isomeric SMILES

CC1=C(N2C(=NC(=N2)C(C)O)N=C1C)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC(C)(C)C(=O)NN)/C5=CSC(=N5)N)SC3)C(=O)O

InChI

InChI=1S/C26H31N11O7S3/c1-9-10(2)29-25-32-17(11(3)38)34-37(25)20(9)45-6-12-7-46-21-15(19(40)36(21)16(12)22(41)42)31-18(39)14(13-8-47-24(27)30-13)35-44-26(4,5)23(43)33-28/h8,11,15,21,38H,6-7,28H2,1-5H3,(H2,27,30)(H,31,39)(H,33,43)(H,41,42)/b35-14+