(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-tert-butylperoxy-2-(methylamino)butanoate

Systemtic Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-tert-butylperoxy-2-(methylamino)butanoate Openeye Name: (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-tert-butylperoxy-2-(methylamino)butanoate CAS Name: 3-tert-butyldioxy-2-(methylamino)butanoic acid [oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl] ester IUPAC Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-tert-butylperoxy-2-(methylamino)butanoate Traditional Name: 3-tert-butylperoxy-2-(methylamino)butyric acid (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl ester Formula: C12H20N4O5S2 MolecularWeight: 364.441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC(=O)NC1=NNC(=S)S1)NC)OOC(C)(C)C

Isomeric SMILES

CC(C(C(=O)OC(=O)NC1=NNC(=S)S1)NC)OOC(C)(C)C

InChI

InChI=1S/C12H20N4O5S2/c1-6(20-21-12(2,3)4)7(13-5)8(17)19-10(18)14-9-15-16-11(22)23-9/h6-7,13H,1-5H3,(H,16,22)(H,14,15,18)