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

Systemtic Name: tert-butyl 3-(3-ethoxy-3-oxidanylidene-propyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-(3-ethoxy-3-oxo-propyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(3-ethoxy-3-oxopropyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-ethoxy-3-oxopropyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(3-ethoxy-3-keto-propyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C22H28N2O6S2 MolecularWeight: 480.59752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N2O6S2/c1-5-29-16(26)9-8-13-12-32-20-17(23-15(25)11-14-7-6-10-31-14)19(27)24(20)18(13)21(28)30-22(2,3)4/h6-7,10,17,20H,5,8-9,11-12H2,1-4H3,(H,23,25)