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

Systemtic Name: 3-(1-acetyloxyethyl)-7-methoxy-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(1-acetoxyethyl)-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-acetyloxyethyl)-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-acetyloxyethyl)-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-acetoxyethyl)-8-keto-7-methoxy-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8S/c1-11(30-12(2)23)14-10-31-19-20(28-3,18(27)22(19)16(14)17(25)26)21-15(24)9-29-13-7-5-4-6-8-13/h4-8,11,19H,9-10H2,1-3H3,(H,21,24)(H,25,26)