3-(acetyloxymethyl)-7-[2-[3-[bis(fluoranyl)methyl]-5-methyl-pyrazol-1-yl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[2-[3-[bis(fluoranyl)methyl]-5-methyl-pyrazol-1-yl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-[3-(difluoromethyl)-5-methyl-1-pyrazolyl]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[[2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18F2N4O6S MolecularWeight: 444.409826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C(F)F

Isomeric SMILES

CC1=CC(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C(F)F

InChI

InChI=1S/C17H18F2N4O6S/c1-7-3-10(14(18)19)21-22(7)4-11(25)20-12-15(26)23-13(17(27)28)9(5-29-8(2)24)6-30-16(12)23/h3,12,14,16H,4-6H2,1-2H3,(H,20,25)(H,27,28)