1-phenoxyethyl 6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 1-phenoxyethyl 6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 1-phenoxyethyl 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-phenoxyethyl ester IUPAC Name: 1-phenoxyethyl 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-phenoxyethyl ester Formula: C16H18BrNO4S MolecularWeight: 400.28742

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=CC=CC=C1)OC(=O)C2C(SC3N2C(=O)C3Br)(C)C

Isomeric SMILES

CC(OC1=CC=CC=C1)OC(=O)C2C(SC3N2C(=O)C3Br)(C)C

InChI

InChI=1S/C16H18BrNO4S/c1-9(21-10-7-5-4-6-8-10)22-15(20)12-16(2,3)23-14-11(17)13(19)18(12)14/h4-9,11-12,14H,1-3H3