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

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (6S)-3-methylidene-5,8-bis(oxidanylidene)-7-(2-thiophen-2-ylethanoylamino)-5$l^{4}-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: 2,2,2-trichloroethyl (6S)-3-methylene-5,8-dioxo-7-[[2-(2-thienyl)acetyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S)-3-methylene-5,8-dioxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (6S)-3-methylidene-5,8-dioxo-7-[(2-thiophen-2-ylacetyl)amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S)-5,8-diketo-3-methylene-7-[[2-(2-thienyl)acetyl]amino]-5$l^{4}-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C16H15Cl3N2O5S2 MolecularWeight: 485.7897

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CS(=O)C2C(C(=O)N2C1C(=O)OCC(Cl)(Cl)Cl)NC(=O)CC3=CC=CS3

Isomeric SMILES

C=C1CS(=O)[C@H]2C(C(=O)N2C1C(=O)OCC(Cl)(Cl)Cl)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C16H15Cl3N2O5S2/c1-8-6-28(25)14-11(20-10(22)5-9-3-2-4-27-9)13(23)21(14)12(8)15(24)26-7-16(17,18)19/h2-4,11-12,14H,1,5-7H2,(H,20,22)/t11?,12?,14-,28?/m0/s1