8-oxidanylidene-3-(3-oxidanylidenebutanoyloxymethyl)-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-(3-oxidanylidenebutanoyloxymethyl)-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-(3-oxobutanoyloxymethyl)-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(1,3-dioxobutoxymethyl)-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-(3-oxobutanoyloxymethyl)-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoacetyloxymethyl)-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C20H20N2O8S/c1-11(23)7-15(25)30-8-12-10-31-19-16(18(26)22(19)17(12)20(27)28)21-14(24)9-29-13-5-3-2-4-6-13/h2-6,16,19H,7-10H2,1H3,(H,21,24)(H,27,28)