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

Systemtic Name: tert-butyl 8-oxidanylidene-3-pentanoyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 8-oxo-3-pentanoyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-3-(1-oxopentyl)-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 8-oxo-3-pentanoyl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[2-(2-thienyl)acetyl]amino]-3-valeryl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(=O)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N2O5S2/c1-5-6-9-15(25)14-12-31-20-17(23-16(26)11-13-8-7-10-30-13)19(27)24(20)18(14)21(28)29-22(2,3)4/h7-8,10,17,20H,5-6,9,11-12H2,1-4H3,(H,23,26)