(5R,6R)-3-[(4-bromanyl-2-chloranyl-6-methyl-phenoxy)methyl]-7-oxidanylidene-6-(2-oxidanylidenepropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (5R,6R)-3-[(4-bromanyl-2-chloranyl-6-methyl-phenoxy)methyl]-7-oxidanylidene-6-(2-oxidanylidenepropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (5R,6R)-6-acetonyl-3-[(4-bromo-2-chloro-6-methyl-phenoxy)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (5R,6R)-3-[(4-bromo-2-chloro-6-methylphenoxy)methyl]-7-oxo-6-(2-oxopropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (5R,6R)-3-[(4-bromo-2-chloro-6-methylphenoxy)methyl]-7-oxo-6-(2-oxopropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (5R,6R)-6-acetonyl-3-[(4-bromo-2-chloro-6-methyl-phenoxy)methyl]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H15BrClNO5S MolecularWeight: 460.7267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=C(N3C(S2)C(C3=O)CC(=O)C)C(=O)O)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=C(N3[C@H](S2)[C@@H](C3=O)CC(=O)C)C(=O)O)Cl)Br

InChI

InChI=1S/C17H15BrClNO5S/c1-7-3-9(18)5-11(19)14(7)25-6-12-13(17(23)24)20-15(22)10(4-8(2)21)16(20)26-12/h3,5,10,16H,4,6H2,1-2H3,(H,23,24)/t10-,16-/m1/s1