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

Systemtic Name: 3-(acetyloxymethyl)-7-[(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15BrN4O6S MolecularWeight: 459.2718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3Br)C)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3Br)C)SC1)C(=O)O

InChI

InChI=1S/C15H15BrN4O6S/c1-6(21)26-4-7-5-27-14-10(13(23)20(14)11(7)15(24)25)17-12(22)9-8(16)3-19(2)18-9/h3,10,14H,4-5H2,1-2H3,(H,17,22)(H,24,25)