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

Systemtic Name: 3-methanoyloxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 3-formyloxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-formyloxy-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 3-formyloxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 3-formyloxy-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)OC=O

Isomeric SMILES

C1C(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)OC=O

InChI

InChI=1S/C16H16N2O6S/c19-8-24-10-7-25-15-12(14(21)18(15)13(10)16(22)23)17-11(20)6-9-4-2-1-3-5-9/h1-5,8,10,12-13,15H,6-7H2,(H,17,20)(H,22,23)