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

Systemtic Name: tert-butyl 7-formamido-3-(iodanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-formamido-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-formamido-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-formamido-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-formamido-3-(iodomethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C13H17IN2O4S MolecularWeight: 424.25455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC=O)CI

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC=O)CI

InChI

InChI=1S/C13H17IN2O4S/c1-13(2,3)20-12(19)9-7(4-14)5-21-11-8(15-6-17)10(18)16(9)11/h6,8,11H,4-5H2,1-3H3,(H,15,17)