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

Systemtic Name: 1-butanoyloxyethyl 6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 1-butanoyloxyethyl 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-(1-oxobutoxy)ethyl ester IUPAC Name: 1-butanoyloxyethyl 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-butyryloxyethyl ester Formula: C14H20BrNO5S MolecularWeight: 394.2813

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2Br)(C)C

Isomeric SMILES

CCCC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2Br)(C)C

InChI

InChI=1S/C14H20BrNO5S/c1-5-6-8(17)20-7(2)21-13(19)10-14(3,4)22-12-9(15)11(18)16(10)12/h7,9-10,12H,5-6H2,1-4H3