cyanomethyl 3-bromanyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: cyanomethyl 3-bromanyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: cyanomethyl 3-bromo-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-bromo-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-bromo-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-bromo-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid cyanomethyl ester Formula: C18H18BrN3O5S MolecularWeight: 468.32162

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OCC#N)NC(=O)COC3=CC=CC=C3)Br

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OCC#N)NC(=O)COC3=CC=CC=C3)Br

InChI

InChI=1S/C18H18BrN3O5S/c1-18(19)10-28-16-13(15(24)22(16)14(18)17(25)26-8-7-20)21-12(23)9-27-11-5-3-2-4-6-11/h2-6,13-14,16H,8-10H2,1H3,(H,21,23)