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

Systemtic Name: tert-butyl 3-ethoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-ethoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-ethoxy-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-ethoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-ethoxy-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: C19H24N2O5S2 MolecularWeight: 424.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H24N2O5S2/c1-5-25-12-10-28-17-14(20-13(22)9-11-7-6-8-27-11)16(23)21(17)15(12)18(24)26-19(2,3)4/h6-8,14,17H,5,9-10H2,1-4H3,(H,20,22)