7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-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-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-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-hydroxy-1-methyl-2-oxo-ethoxy)imino-acetyl]amino]-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-hydroxy-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-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-hydroxy-1-oxopropan-2-yl)oxyiminoacetyl]amino]-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-hydroxy-2-keto-1-methyl-ethyl)oximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15N5O7S2 MolecularWeight: 441.4389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

Isomeric SMILES

CC(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

InChI

InChI=1S/C15H15N5O7S2/c1-5(13(23)24)27-19-8(6-4-29-15(16)17-6)10(21)18-9-11(22)20-7(14(25)26)2-3-28-12(9)20/h2,4-5,9,12H,3H2,1H3,(H2,16,17)(H,18,21)(H,23,24)(H,25,26)/b19-8+