7-[[(2E)-2-(carboxymethyloxyimino)-2-(1,3-thiazol-4-yl)ethanoyl]amino]-3-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(carboxymethyloxyimino)-2-(1,3-thiazol-4-yl)ethanoyl]amino]-3-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(carboxymethyloxyimino)-2-thiazol-4-yl-acetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(carboxymethyloxyimino)-1-oxo-2-(4-thiazolyl)ethyl]amino]-3-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(carboxymethyloxyimino)-2-(1,3-thiazol-4-yl)acetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(carboxymethyloximino)-2-thiazol-4-yl-acetyl]amino]-8-keto-3-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14N4O7S3 MolecularWeight: 458.48926

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC=N3)SC1)C(=O)O

Isomeric SMILES

CSC1=C(N2C(C(C2=O)NC(=O)/C(=N/OCC(=O)O)/C3=CSC=N3)SC1)C(=O)O

InChI

InChI=1S/C15H14N4O7S3/c1-27-7-4-29-14-10(13(23)19(14)11(7)15(24)25)17-12(22)9(6-3-28-5-16-6)18-26-2-8(20)21/h3,5,10,14H,2,4H2,1H3,(H,17,22)(H,20,21)(H,24,25)/b18-9+