methyl 11-azanyl-7,7-dimethyl-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclododecane-4-carboxylate

Systemtic Name: methyl 11-azanyl-7,7-dimethyl-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclododecane-4-carboxylate Openeye Name: methyl 11-amino-7,7-dimethyl-6,10-dioxo-1,2-dithia-5,9-diazacyclododecane-4-carboxylate CAS Name: 11-amino-7,7-dimethyl-6,10-dioxo-1,2-dithia-5,9-diazacyclododecane-4-carboxylic acid methyl ester IUPAC Name: methyl 11-amino-7,7-dimethyl-6,10-dioxo-1,2-dithia-5,9-diazacyclododecane-4-carboxylate Traditional Name: 11-amino-6,10-diketo-7,7-dimethyl-1,2-dithia-5,9-diazacyclododecane-4-carboxylic acid methyl ester Formula: C12H21N3O4S2 MolecularWeight: 335.44284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=O)C(CSSCC(NC1=O)C(=O)OC)N)C

Isomeric SMILES

CC1(CNC(=O)C(CSSCC(NC1=O)C(=O)OC)N)C

InChI

InChI=1S/C12H21N3O4S2/c1-12(2)6-14-9(16)7(13)4-20-21-5-8(10(17)19-3)15-11(12)18/h7-8H,4-6,13H2,1-3H3,(H,14,16)(H,15,18)