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

Systemtic Name: 3-(2-methoxy-2-oxidanylidene-ethyl)-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(2-methoxy-2-oxo-ethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-(2-keto-2-methoxy-ethyl)-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

COC(=O)CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C18H18N2O7S/c1-26-13(22)7-10-9-28-17-14(16(23)20(17)15(10)18(24)25)19-12(21)8-27-11-5-3-2-4-6-11/h2-6,14,17H,7-9H2,1H3,(H,19,21)(H,24,25)