dimethyl 1-[(2R,5R,6R)-6-chloranyl-9-oxidanylidene-9$l^{4}-thiabicyclo[3.3.1]nonan-2-yl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[(2R,5R,6R)-6-chloranyl-9-oxidanylidene-9$l^{4}-thiabicyclo[3.3.1]nonan-2-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[(2R,5R,6R)-6-chloro-9-oxo-9$l^{4}-thiabicyclo[3.3.1]nonan-2-yl]triazole-4,5-dicarboxylate CAS Name: 1-[(2R,5R,6R)-6-chloro-9-oxo-9$l^{4}-thiabicyclo[3.3.1]nonan-2-yl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(2R,5R,6R)-6-chloro-9-oxo-9$l^{4}-thiabicyclo[3.3.1]nonan-2-yl]triazole-4,5-dicarboxylate Traditional Name: 1-[(2R,5R,6R)-6-chloro-9-keto-9$l^{4}-thiabicyclo[3.3.1]nonan-2-yl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C14H18ClN3O5S MolecularWeight: 375.82782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2CCC3C(CCC2S3=O)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)[C@@H]2CC[C@@H]3[C@@H](CCC2S3=O)Cl)C(=O)OC

InChI

InChI=1S/C14H18ClN3O5S/c1-22-13(19)11-12(14(20)23-2)18(17-16-11)8-4-6-9-7(15)3-5-10(8)24(9)21/h7-10H,3-6H2,1-2H3/t7-,8-,9-,10?,24?/m1/s1