methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-1,2,5-dithiazocane-4-carboxylate

Systemtic Name: methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-1,2,5-dithiazocane-4-carboxylate Openeye Name: methyl 7-(tert-butoxycarbonylamino)-6-oxo-1,2,5-dithiazocane-4-carboxylate CAS Name: 7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxo-1,2,5-dithiazocane-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1,2,5-dithiazocane-4-carboxylate Traditional Name: 7-(tert-butoxycarbonylamino)-6-keto-1,2,5-dithiazocane-4-carboxylic acid methyl ester Formula: C12H20N2O5S2 MolecularWeight: 336.4276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CSSCC(NC1=O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CSSCC(NC1=O)C(=O)OC

InChI

InChI=1S/C12H20N2O5S2/c1-12(2,3)19-11(17)14-7-5-20-21-6-8(10(16)18-4)13-9(7)15/h7-8H,5-6H2,1-4H3,(H,13,15)(H,14,17)