S-tert-butyl (6R,7S)-7-chloranyl-3-(methoxymethyl)-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbothioate

Systemtic Name: S-tert-butyl (6R,7S)-7-chloranyl-3-(methoxymethyl)-5,5,8-tris(oxidanylidene)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbothioate Openeye Name: S-tert-butyl (6R,7S)-7-chloro-3-(methoxymethyl)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbothioate CAS Name: (6R,7S)-7-chloro-3-(methoxymethyl)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (6R,7S)-7-chloro-3-(methoxymethyl)-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbothioate Traditional Name: (6R,7S)-7-chloro-5,5,8-triketo-3-(methoxymethyl)-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbothioic acid S-tert-butyl ester Formula: C13H18ClNO5S2 MolecularWeight: 367.86872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C1=C(CS(=O)(=O)C2N1C(=O)C2Cl)COC

Isomeric SMILES

CC(C)(C)SC(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)[C@@H]2Cl)COC

InChI

InChI=1S/C13H18ClNO5S2/c1-13(2,3)21-12(17)9-7(5-20-4)6-22(18,19)11-8(14)10(16)15(9)11/h8,11H,5-6H2,1-4H3/t8-,11+/m0/s1