prop-2-enyl (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-carboxylate

Systemtic Name: prop-2-enyl (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-carboxylate Openeye Name: allyl (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-carboxylate 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 prop-2-enyl ester IUPAC Name: prop-2-enyl (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-carboxylate 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 allyl ester Formula: C20H19BrClNO5S MolecularWeight: 500.79056

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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)OCC=C)Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrClNO5S/c1-4-5-27-20(26)16-15(9-28-17-10(2)6-12(21)8-14(17)22)29-19-13(7-11(3)24)18(25)23(16)19/h4,6,8,13,19H,1,5,7,9H2,2-3H3/t13-,19-/m1/s1