3-methylsulfonyloxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 3-methylsulfonyloxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 3-methylsulfonyloxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-methylsulfonyloxy-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 3-methylsulfonyloxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 8-keto-3-methylsulfonyloxy-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H18N2O7S2 MolecularWeight: 414.45332

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CSC2C(C(=O)N2C1C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1CSC2C(C(=O)N2C1C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N2O7S2/c1-27(23,24)25-10-8-26-15-12(14(20)18(15)13(10)16(21)22)17-11(19)7-9-5-3-2-4-6-9/h2-6,10,12-13,15H,7-8H2,1H3,(H,17,19)(H,21,22)