4-ethoxycarbonyl-4-[2-[(4-ethoxyphenyl)amino]-1,3-thiazol-4-yl]octanoic acid hydrobromide

Systemtic Name: 4-ethoxycarbonyl-4-[2-[(4-ethoxyphenyl)amino]-1,3-thiazol-4-yl]octanoic acid hydrobromide Openeye Name: 4-[2-(4-ethoxyanilino)thiazol-4-yl]-4-ethoxycarbonyl-octanoic acid hydrobromide CAS Name: 4-[2-(4-ethoxyanilino)-4-thiazolyl]-4-ethoxycarbonyloctanoic acid hydrobromide IUPAC Name: 4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-ethoxycarbonyloctanoic acid hydrobromide Traditional Name: 4-carbethoxy-4-[2-(p-phenetidino)thiazol-4-yl]caprylic acid hydrobromide Formula: C22H31BrN2O5S MolecularWeight: 515.46094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)O)(C1=CSC(=N1)NC2=CC=C(C=C2)OCC)C(=O)OCC.Br

Isomeric SMILES

CCCCC(CCC(=O)O)(C1=CSC(=N1)NC2=CC=C(C=C2)OCC)C(=O)OCC.Br

InChI

InChI=1S/C22H30N2O5S.BrH/c1-4-7-13-22(14-12-19(25)26,20(27)29-6-3)18-15-30-21(24-18)23-16-8-10-17(11-9-16)28-5-2;/h8-11,15H,4-7,12-14H2,1-3H3,(H,23,24)(H,25,26);1H