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

Systemtic Name: 3-acetyloxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 3-acetoxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-acetyloxy-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 3-acetyloxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 3-acetoxy-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-9(20)25-11-8-26-16-13(15(22)19(16)14(11)17(23)24)18-12(21)7-10-5-3-2-4-6-10/h2-6,11,13-14,16H,7-8H2,1H3,(H,18,21)(H,23,24)