2,2,2-tris(chloranyl)ethyl 3-(bromomethyl)-6-(2-cyanoethanoylamino)-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 3-(bromomethyl)-6-(2-cyanoethanoylamino)-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 2,2,2-trichloroethyl 3-(bromomethyl)-6-[(2-cyanoacetyl)amino]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(bromomethyl)-6-[(2-cyano-1-oxoethyl)amino]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 3-(bromomethyl)-6-[(2-cyanoacetyl)amino]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(bromomethyl)-6-[(2-cyanoacetyl)amino]-7-keto-3-methyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C13H13BrCl3N3O4S MolecularWeight: 493.58802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC#N)C(=O)OCC(Cl)(Cl)Cl)CBr

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CC#N)C(=O)OCC(Cl)(Cl)Cl)CBr

InChI

InChI=1S/C13H13BrCl3N3O4S/c1-12(4-14)8(11(23)24-5-13(15,16)17)20-9(22)7(10(20)25-12)19-6(21)2-3-18/h7-8,10H,2,4-5H2,1H3,(H,19,21)