dimethyl (4R,12R)-6,10-bis(oxidanylidene)-1,2-dithia-5,11-diazacyclotridecane-4,12-dicarboxylate

Systemtic Name: dimethyl (4R,12R)-6,10-bis(oxidanylidene)-1,2-dithia-5,11-diazacyclotridecane-4,12-dicarboxylate Openeye Name: dimethyl (4R,12R)-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4,12-dicarboxylate CAS Name: (4R,12R)-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4,12-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4R,12R)-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4,12-dicarboxylate Traditional Name: (4R,12R)-6,10-diketo-1,2-dithia-5,11-diazacyclotridecane-4,12-dicarboxylic acid dimethyl ester Formula: C13H20N2O6S2 MolecularWeight: 364.4377

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSSCC(NC(=O)CCCC(=O)N1)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1CSSC[C@H](NC(=O)CCCC(=O)N1)C(=O)OC

InChI

InChI=1S/C13H20N2O6S2/c1-20-12(18)8-6-22-23-7-9(13(19)21-2)15-11(17)5-3-4-10(16)14-8/h8-9H,3-7H2,1-2H3,(H,14,16)(H,15,17)/t8-,9-/m0/s1