ethyl 7-azanyl-8-oxidanylidene-3-(3-oxidanylidenebutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: ethyl 7-azanyl-8-oxidanylidene-3-(3-oxidanylidenebutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: ethyl 7-amino-8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(1,3-dioxobutoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-amino-8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoacetyloxymethyl)-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester Formula: C14H18N2O6S MolecularWeight: 342.36752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CSC2N1C(=O)C2N)COC(=O)CC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(CSC2N1C(=O)C2N)COC(=O)CC(=O)C

InChI

InChI=1S/C14H18N2O6S/c1-3-21-14(20)11-8(5-22-9(18)4-7(2)17)6-23-13-10(15)12(19)16(11)13/h10,13H,3-6,15H2,1-2H3