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

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(2-thioxo-4-imidazolin-4-yl)propionic acid methyl ester Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC(=S)N1)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC(=S)N1)C(=O)OC

InChI

InChI=1S/C12H19N3O4S/c1-12(2,3)19-11(17)15-8(9(16)18-4)5-7-6-13-10(20)14-7/h6,8H,5H2,1-4H3,(H,15,17)(H2,13,14,20)/t8-/m0/s1