potassium (2R,4'S,5'R)-3'-(2-cyanoethylsulfanyl)-4'-methyl-4,7'-bis(oxidanylidene)-3-phenylmethoxycarbonyl-spiro[1,3-oxazolidine-2,6'-1-azabicyclo[3.2.0]hept-2-ene]-2'-carboxylate

Systemtic Name: potassium (2R,4'S,5'R)-3'-(2-cyanoethylsulfanyl)-4'-methyl-4,7'-bis(oxidanylidene)-3-phenylmethoxycarbonyl-spiro[1,3-oxazolidine-2,6'-1-azabicyclo[3.2.0]hept-2-ene]-2'-carboxylate Openeye Name: potassium (4S,5R,6R)-3'-benzyloxycarbonyl-3-(2-cyanoethylsulfanyl)-4-methyl-4',7-dioxo-spiro[1-azabicyclo[3.2.0]hept-2-ene-6,2'-oxazolidine]-2-carboxylate CAS Name: potassium (4S,5R,6R)-3-(2-cyanoethylthio)-4-methyl-4',7-dioxo-3'-phenylmethoxycarbonyl-2-spiro[1-azabicyclo[3.2.0]hept-2-ene-6,2'-oxazolidine]carboxylate IUPAC Name: potassium (2R,4'S,5'R)-3'-(2-cyanoethylsulfanyl)-4'-methyl-4,7'-dioxo-3-phenylmethoxycarbonylspiro[1,3-oxazolidine-2,6'-1-azabicyclo[3.2.0]hept-2-ene]-2'-carboxylate Traditional Name: potassium (4S,5R,6R)-3'-carbobenzoxy-3-(2-cyanoethylthio)-4',7-diketo-4-methyl-spiro[1-azabicyclo[3.2.0]hept-2-ene-6,2'-oxazolidine]-2-carboxylate Formula: C21H18KN3O7S MolecularWeight: 495.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C3(C(=O)N2C(=C1SCCC#N)C(=O)[O-])N(C(=O)CO3)C(=O)OCC4=CC=CC=C4.[K+]

Isomeric SMILES

C[C@H]1[C@@H]2[C@@]3(C(=O)N2C(=C1SCCC#N)C(=O)[O-])N(C(=O)CO3)C(=O)OCC4=CC=CC=C4.[K+]

InChI

InChI=1S/C21H19N3O7S.K/c1-12-16(32-9-5-8-22)15(18(26)27)23-17(12)21(19(23)28)24(14(25)11-31-21)20(29)30-10-13-6-3-2-4-7-13;/h2-4,6-7,12,17H,5,9-11H2,1H3,(H,26,27);/q;+1/p-1/t12-,17-,21-;/m1./s1