2,2,2-tris(chloranyl)ethyl (6S)-3-bromanyl-3-methyl-5,8-bis(oxidanylidene)-7-(2-phenylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (6S)-3-bromanyl-3-methyl-5,8-bis(oxidanylidene)-7-(2-phenylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: 2,2,2-trichloroethyl (6S)-3-bromo-3-methyl-5,8-dioxo-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S)-3-bromo-3-methyl-5,8-dioxo-7-[(1-oxo-2-phenylethyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (6S)-3-bromo-3-methyl-5,8-dioxo-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S)-3-bromo-5,8-diketo-3-methyl-7-[(2-phenylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C18H18BrCl3N2O5S MolecularWeight: 560.67392

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CS(=O)C2C(C(=O)N2C1C(=O)OCC(Cl)(Cl)Cl)NC(=O)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1(CS(=O)[C@H]2C(C(=O)N2C1C(=O)OCC(Cl)(Cl)Cl)NC(=O)CC3=CC=CC=C3)Br

InChI

InChI=1S/C18H18BrCl3N2O5S/c1-17(19)9-30(28)15-12(23-11(25)7-10-5-3-2-4-6-10)14(26)24(15)13(17)16(27)29-8-18(20,21)22/h2-6,12-13,15H,7-9H2,1H3,(H,23,25)/t12?,13?,15-,17?,30?/m0/s1