(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol; ethyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol; ethyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (2S)-1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol; ethyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: (2S)-1-(tert-butylamino)-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-2-propanol; 3,5-diacetamido-2,4,6-triiodobenzoic acid ethyl ester IUPAC Name: (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol; ethyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: (2S)-1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol; 3,5-diacetamido-2,4,6-triiodo-benzoic acid ethyl ester Formula: C26H37I3N6O7S MolecularWeight: 958.38639

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I.CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I.CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O

InChI

InChI=1S/C13H13I3N2O4.C13H24N4O3S/c1-4-22-13(21)7-8(14)11(17-5(2)19)10(16)12(9(7)15)18-6(3)20;1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h4H2,1-3H3,(H,17,19)(H,18,20);10,14,18H,4-9H2,1-3H3/t;10-/m.0/s1