2,2,2-tris(chloranyl)ethyl (6R,7R)-3-methyl-4-methylidene-5,5,8-tris(oxidanylidene)-7-(2-phenylethanoylamino)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (6R,7R)-3-methyl-4-methylidene-5,5,8-tris(oxidanylidene)-7-(2-phenylethanoylamino)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2,2-trichloroethyl (6R,7R)-3-methyl-4-methylene-5,5,8-trioxo-7-[(2-phenylacetyl)amino]-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-methyl-4-methylene-5,5,8-trioxo-7-[(1-oxo-2-phenylethyl)amino]-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (6R,7R)-3-methyl-4-methylidene-5,5,8-trioxo-7-[(2-phenylacetyl)amino]-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-5,5,8-triketo-3-methyl-4-methylene-7-[(2-phenylacetyl)amino]-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C19H17Cl3N2O6S MolecularWeight: 507.77208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)S(=O)(=O)C1=C)C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)S(=O)(=O)C1=C)C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C19H17Cl3N2O6S/c1-10-11(2)31(28,29)17-14(23-13(25)8-12-6-4-3-5-7-12)16(26)24(17)15(10)18(27)30-9-19(20,21)22/h3-7,14,17H,2,8-9H2,1H3,(H,23,25)/t14-,17-/m1/s1