propan-2-yl 7-azanyl-3-(iodanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: propan-2-yl 7-azanyl-3-(iodanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: isopropyl 7-amino-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 7-amino-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-(iodomethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid isopropyl ester Formula: C11H15IN2O3S MolecularWeight: 382.21787

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(CSC2N1C(=O)C2N)CI

Isomeric SMILES

CC(C)OC(=O)C1=C(CSC2N1C(=O)C2N)CI

InChI

InChI=1S/C11H15IN2O3S/c1-5(2)17-11(16)8-6(3-12)4-18-10-7(13)9(15)14(8)10/h5,7,10H,3-4,13H2,1-2H3