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

Systemtic Name: prop-2-enyl 6-bromanyl-3,3-dimethyl-6-[2-(4-methylphenyl)-1-oxidanyl-2-oxidanylidene-ethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: allyl 6-bromo-6-[1-hydroxy-2-oxo-2-(p-tolyl)ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-6-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-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-(4-methylphenyl)-2-oxoethyl]-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-(p-tolyl)ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid allyl ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C2(C3N(C2=O)C(C(S3)(C)C)C(=O)OCC=C)Br)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C2(C3N(C2=O)C(C(S3)(C)C)C(=O)OCC=C)Br)O

InChI

InChI=1S/C20H22BrNO5S/c1-5-10-27-16(25)14-19(3,4)28-18-20(21,17(26)22(14)18)15(24)13(23)12-8-6-11(2)7-9-12/h5-9,14-15,18,24H,1,10H2,2-4H3