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

Systemtic Name: 7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-3-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-2-(carboxymethyloxyimino)-1-oxoethyl]amino]-3-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-(carboxymethyloximino)acetyl]amino]-8-keto-3-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14ClN5O7S3 MolecularWeight: 507.94896

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=C(SC(=N3)N)Cl)SC1)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5O7S3/c1-29-4-3-30-13-8(12(25)21(13)9(4)14(26)27)18-11(24)7(20-28-2-5(22)23)6-10(16)31-15(17)19-6/h8,13H,2-3H2,1H3,(H2,17,19)(H,18,24)(H,22,23)(H,26,27)/b20-7+