1-(tert-butylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol; (11-oxidanylidene-1-azacycloundec-6-yl) ethanoate

Systemtic Name: 1-(tert-butylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol; (11-oxidanylidene-1-azacycloundec-6-yl) ethanoate Openeye Name: 1-(tert-butylamino)-3-thiazol-2-yloxy-propan-2-ol; (11-oxo-azacycloundec-6-yl) acetate CAS Name: acetic acid (11-oxo-azacycloundec-6-yl) ester; 1-(tert-butylamino)-3-(2-thiazolyloxy)-2-propanol IUPAC Name: 1-(tert-butylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol; (11-oxo-azacycloundec-6-yl) acetate Traditional Name: acetic acid (11-keto-azacycloundec-6-yl) ester; 1-(tert-butylamino)-3-thiazol-2-yloxy-propan-2-ol Formula: C22H39N3O5S MolecularWeight: 457.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCCC(=O)NCCCC1.CC(C)(C)NCC(COC1=NC=CS1)O

Isomeric SMILES

CC(=O)OC1CCCCC(=O)NCCCC1.CC(C)(C)NCC(COC1=NC=CS1)O

InChI

InChI=1S/C12H21NO3.C10H18N2O2S/c1-10(14)16-11-6-2-3-8-12(15)13-9-5-4-7-11;1-10(2,3)12-6-8(13)7-14-9-11-4-5-15-9/h11H,2-9H2,1H3,(H,13,15);4-5,8,12-13H,6-7H2,1-3H3