2,2,2-tris(chloranyl)ethyl 7-isocyanato-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 7-isocyanato-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2,2-trichloroethyl 7-isocyanato-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-isocyanato-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 7-isocyanato-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-isocyanato-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C11H9Cl3N2O4S MolecularWeight: 371.62416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)N=C=O)SC1)C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CC1=C(N2C(C(C2=O)N=C=O)SC1)C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C11H9Cl3N2O4S/c1-5-2-21-9-6(15-4-17)8(18)16(9)7(5)10(19)20-3-11(12,13)14/h6,9H,2-3H2,1H3