tert-butyl 2-(imidazol-1-ylmethyl)-1,1-bis(oxidanylidene)-1,4-thiazinane-4-carboxylate

Systemtic Name: tert-butyl 2-(imidazol-1-ylmethyl)-1,1-bis(oxidanylidene)-1,4-thiazinane-4-carboxylate Openeye Name: tert-butyl 2-(imidazol-1-ylmethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate CAS Name: 2-(1-imidazolylmethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(imidazol-1-ylmethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate Traditional Name: 2-(imidazol-1-ylmethyl)-1,1-diketo-1,4-thiazinane-4-carboxylic acid tert-butyl ester Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C1)CN2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C1)CN2C=CN=C2

InChI

InChI=1S/C13H21N3O4S/c1-13(2,3)20-12(17)16-6-7-21(18,19)11(9-16)8-15-5-4-14-10-15/h4-5,10-11H,6-9H2,1-3H3