methyl 3-tert-butylperoxy-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O5S2/c1-6(20-21-12(2,3)4)7(8(17)19-5)13-9(18)14-10-15-16-11(22)23-10/h6-7H,1-5H3,(H,16,22)(H2,13,14,15,18)