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

Systemtic Name: tert-butyl 3-ethyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-ethyl-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-ethyl-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-ethyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-ethyl-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: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S2/c1-5-11-10-27-17-14(20-13(22)9-12-7-6-8-26-12)16(23)21(17)15(11)18(24)25-19(2,3)4/h6-8,14,17H,5,9-10H2,1-4H3,(H,20,22)