7-azanyl-8-oxidanylidene-3-(1,3-thiazol-4-ylcarbonylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-(1,3-thiazol-4-ylcarbonylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-(thiazole-4-carbonylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[[[oxo(4-thiazolyl)methyl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-(1,3-thiazole-4-carbonylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[(thiazole-4-carbonylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H11N3O4S3 MolecularWeight: 357.42844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC(=O)C3=CSC=N3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC(=O)C3=CSC=N3

InChI

InChI=1S/C12H11N3O4S3/c13-7-9(16)15-8(11(17)18)5(1-21-10(7)15)2-22-12(19)6-3-20-4-14-6/h3-4,7,10H,1-2,13H2,(H,17,18)