prop-2-enyl 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-(1-oxidanyl-2-oxidanylidene-2-quinolin-3-yl-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-quinolin-3-yl-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: allyl 6-bromo-6-[1-hydroxy-2-oxo-2-(3-quinolyl)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-(3-quinolinyl)ethyl]-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-quinolin-3-ylethyl)-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-(3-quinolyl)ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid allyl ester Formula: C22H21BrN2O5S MolecularWeight: 505.38154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C(=O)C3=CC4=CC=CC=C4N=C3)O)Br)C(=O)OCC=C)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C(=O)C3=CC4=CC=CC=C4N=C3)O)Br)C(=O)OCC=C)C

InChI

InChI=1S/C22H21BrN2O5S/c1-4-9-30-18(28)16-21(2,3)31-20-22(23,19(29)25(16)20)17(27)15(26)13-10-12-7-5-6-8-14(12)24-11-13/h4-8,10-11,16-17,20,27H,1,9H2,2-3H3