tert-butyl 3-(4-oxidanylbutanoyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: tert-butyl 3-(4-oxidanylbutanoyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: tert-butyl 3-(4-hydroxybutanoyloxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-[(4-hydroxy-1-oxobutoxy)methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-hydroxybutanoyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-(4-hydroxybutanoyloxymethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester Formula: C22H28N2O7S2 MolecularWeight: 496.59692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(=CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)COC(=O)CCCO

Isomeric SMILES

CC(C)(C)OC(=O)C1C(=CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)COC(=O)CCCO

InChI

InChI=1S/C22H28N2O7S2/c1-22(2,3)31-21(29)18-13(11-30-16(27)7-4-8-25)12-33-20-17(19(28)24(18)20)23-15(26)10-14-6-5-9-32-14/h5-6,9,12,17-18,20,25H,4,7-8,10-11H2,1-3H3,(H,23,26)