prop-2-enyl 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-(1-oxidanyl-2-oxidanylidene-2-phenyl-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: prop-2-enyl 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-(1-oxidanyl-2-oxidanylidene-2-phenyl-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: allyl 6-bromo-6-(1-hydroxy-2-oxo-2-phenyl-ethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-(1-hydroxy-2-oxo-2-phenylethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-bromo-6-(1-hydroxy-2-oxo-2-phenylethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-6-(1-hydroxy-2-keto-2-phenyl-ethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid allyl ester Formula: C19H20BrNO5S MolecularWeight: 454.3348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C(=O)C3=CC=CC=C3)O)Br)C(=O)OCC=C)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C(=O)C3=CC=CC=C3)O)Br)C(=O)OCC=C)C

InChI

InChI=1S/C19H20BrNO5S/c1-4-10-26-15(24)13-18(2,3)27-17-19(20,16(25)21(13)17)14(23)12(22)11-8-6-5-7-9-11/h4-9,13-14,17,23H,1,10H2,2-3H3