7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Formula: C14H13N5O7S2 MolecularWeight: 427.41232

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3CSC(=C(N3C2=O)C(=O)O)C(=O)O

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3CSC(=C(N3C2=O)C(=O)O)C(=O)O

InChI

InChI=1S/C14H13N5O7S2/c1-26-18-6(4-2-28-14(15)16-4)10(20)17-7-5-3-27-9(13(24)25)8(12(22)23)19(5)11(7)21/h2,5,7H,3H2,1H3,(H2,15,16)(H,17,20)(H,22,23)(H,24,25)/b18-6+