7-[[4-chloranyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[4-chloranyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[[4-chloro-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H12ClF3N4O4S MolecularWeight: 424.78269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C3=C(C(=NN3C)C(F)(F)F)Cl)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C3=C(C(=NN3C)C(F)(F)F)Cl)SC1)C(=O)O

InChI

InChI=1S/C14H12ClF3N4O4S/c1-4-3-27-12-6(11(24)22(12)7(4)13(25)26)19-10(23)8-5(15)9(14(16,17)18)20-21(8)2/h6,12H,3H2,1-2H3,(H,19,23)(H,25,26)