methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-oxidanylidene-3-sulfanylidene-1,2-oxazolidin-4-yl)propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-oxidanylidene-3-sulfanylidene-1,2-oxazolidin-4-yl)propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(5-oxo-3-thioxo-isoxazolidin-4-yl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(5-oxo-3-sulfanylidene-4-isoxazolidinyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-oxo-3-sulfanylidene-1,2-oxazolidin-4-yl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(5-keto-3-thioxo-isoxazolidin-4-yl)propionic acid methyl ester Formula: C12H18N2O6S MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1C(=S)NOC1=O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1C(=S)NOC1=O)C(=O)OC

InChI

InChI=1S/C12H18N2O6S/c1-12(2,3)19-11(17)13-7(10(16)18-4)5-6-8(21)14-20-9(6)15/h6-7H,5H2,1-4H3,(H,13,17)(H,14,21)/t6?,7-/m0/s1