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

Systemtic Name: tert-butyl 3-[acetyloxy-(2-thiophen-2-ylethanoylamino)methyl]-7-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-[acetoxy-[[2-(2-thienyl)acetyl]amino]methyl]-7-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[acetyloxy-[(1-oxo-2-thiophen-2-ylethyl)amino]methyl]-7-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[acetyloxy-[(2-thiophen-2-ylacetyl)amino]methyl]-7-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[acetoxy-[[2-(2-thienyl)acetyl]amino]methyl]-8-keto-7-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C21H26N2O6S3 MolecularWeight: 498.63594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S3/c1-11(24)28-17(22-14(25)9-12-7-6-8-31-12)13-10-32-19-16(30-5)18(26)23(19)15(13)20(27)29-21(2,3)4/h6-8,16-17,19H,9-10H2,1-5H3,(H,22,25)