(6S,7S)-3-(aminocarbonyloxymethyl)-7-methoxy-8-oxidanylidene-7-[[6-oxidanyl-6-oxidanylidene-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]hexanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6S,7S)-3-(aminocarbonyloxymethyl)-7-methoxy-8-oxidanylidene-7-[[6-oxidanyl-6-oxidanylidene-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]hexanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6S,7S)-3-(carbamoyloxymethyl)-7-[[6-hydroxy-6-oxo-5-(2,2,2-trichloroethoxycarbonylamino)hexanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S,7S)-3-(carbamoyloxymethyl)-7-[[6-hydroxy-1,6-dioxo-5-[[oxo(2,2,2-trichloroethoxy)methyl]amino]hexyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6S,7S)-3-(carbamoyloxymethyl)-7-[[6-hydroxy-6-oxo-5-(2,2,2-trichloroethoxycarbonylamino)hexanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S,7S)-3-(carbamoyloxymethyl)-7-[[6-hydroxy-6-keto-5-(2,2,2-trichloroethoxycarbonylamino)hexanoyl]amino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H22Cl3N4O11S- MolecularWeight: 620.82218

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CCCC(C(=O)O)NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CO[C@@]1([C@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CCCC(C(=O)O)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C19H23Cl3N4O11S/c1-35-19(14(32)26-11(13(30)31)8(5-36-16(23)33)6-38-15(19)26)25-10(27)4-2-3-9(12(28)29)24-17(34)37-7-18(20,21)22/h9,15H,2-7H2,1H3,(H2,23,33)(H,24,34)(H,25,27)(H,28,29)(H,30,31)/p-1/t9?,15-,19-/m0/s1