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

Systemtic Name: 3-(1-acetyloxybutyl)-7-methoxy-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(1-acetoxybutyl)-7-methoxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(1-acetyloxybutyl)-7-methoxy-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(1-acetyloxybutyl)-7-methoxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(1-acetoxybutyl)-8-keto-7-methoxy-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(N2C(C(C2=O)(NC(=O)COC3=CC=CC=C3)OC)SC1)C(=O)O)OC(=O)C

Isomeric SMILES

CCCC(C1=C(N2C(C(C2=O)(NC(=O)COC3=CC=CC=C3)OC)SC1)C(=O)O)OC(=O)C

InChI

InChI=1S/C22H26N2O8S/c1-4-8-16(32-13(2)25)15-12-33-21-22(30-3,20(29)24(21)18(15)19(27)28)23-17(26)11-31-14-9-6-5-7-10-14/h5-7,9-10,16,21H,4,8,11-12H2,1-3H3,(H,23,26)(H,27,28)