7-[ethanoyl-(1-methylimidazol-2-yl)sulfanyl-amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[ethanoyl-(1-methylimidazol-2-yl)sulfanyl-amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[acetyl-(1-methylimidazol-2-yl)sulfanyl-amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[acetyl-[(1-methyl-2-imidazolyl)thio]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[acetyl-(1-methylimidazol-2-yl)sulfanylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[acetyl-[(1-methylimidazol-2-yl)thio]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C2N(C1=O)C(=CCS2)C(=O)O)SC3=NC=CN3C

Isomeric SMILES

CC(=O)N(C1C2N(C1=O)C(=CCS2)C(=O)O)SC3=NC=CN3C

InChI

InChI=1S/C13H14N4O4S2/c1-7(18)17(23-13-14-4-5-15(13)2)9-10(19)16-8(12(20)21)3-6-22-11(9)16/h3-5,9,11H,6H2,1-2H3,(H,20,21)