7-methyl-8-oxidanylidene-7-(2H-1,2,3-triazol-4-ylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-methyl-8-oxidanylidene-7-(2H-1,2,3-triazol-4-ylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methyl-8-oxo-7-(2H-triazol-4-ylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-methyl-8-oxo-7-(2H-triazol-4-ylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methyl-8-oxo-7-(2H-triazol-4-ylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-methyl-7-(2H-triazol-4-ylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H10N4O3S2 MolecularWeight: 298.3414

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2N(C1=O)C(=CCS2)C(=O)O)SC3=NNN=C3

Isomeric SMILES

CC1(C2N(C1=O)C(=CCS2)C(=O)O)SC3=NNN=C3

InChI

InChI=1S/C10H10N4O3S2/c1-10(19-6-4-11-13-12-6)8(17)14-5(7(15)16)2-3-18-9(10)14/h2,4,9H,3H2,1H3,(H,15,16)(H,11,12,13)