(2S)-3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid; 7-(octylamino)heptane-1,2,3,4,5,6-hexol

Systemtic Name: (2S)-3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid; 7-(octylamino)heptane-1,2,3,4,5,6-hexol Openeye Name: (2S)-3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid; 7-(octylamino)heptane-1,2,3,4,5,6-hexol CAS Name: (2S)-3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanoic acid; 7-(octylamino)heptane-1,2,3,4,5,6-hexol IUPAC Name: (2S)-3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanoic acid; 7-(octylamino)heptane-1,2,3,4,5,6-hexol Traditional Name: (2S)-3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxy-propionic acid; 7-(octylamino)heptane-1,2,3,4,5,6-hexol Formula: C36H58N2O10S MolecularWeight: 710.91812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC(C(C(C(C(CO)O)O)O)O)O.CCOC(CC1=CC=C(C=C1)OCCN2CCSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCCCCCCCNCC(C(C(C(C(CO)O)O)O)O)O.CCO[C@@H](CC1=CC=C(C=C1)OCCN2CCSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H25NO4S.C15H33NO6/c1-2-25-19(21(23)24)15-16-7-9-17(10-8-16)26-13-11-22-12-14-27-20-6-4-3-5-18(20)22;1-2-3-4-5-6-7-8-16-9-11(18)13(20)15(22)14(21)12(19)10-17/h3-10,19H,2,11-15H2,1H3,(H,23,24);11-22H,2-10H2,1H3/t19-;/m0./s1