3-[2-(hexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate

Systemtic Name: 3-[2-(hexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate Openeye Name: 3-[2-(hexylamino)-4-(4-methoxyphenyl)thiazol-5-yl]propanoate CAS Name: 3-[2-(hexylamino)-4-(4-methoxyphenyl)-5-thiazolyl]propanoate IUPAC Name: 3-[2-(hexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate Traditional Name: 3-[2-(hexylamino)-4-(4-methoxyphenyl)thiazol-5-yl]propionate Formula: C19H25N2O3S- MolecularWeight: 361.4784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC(=C(S1)CCC(=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCNC1=NC(=C(S1)CCC(=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H26N2O3S/c1-3-4-5-6-13-20-19-21-18(16(25-19)11-12-17(22)23)14-7-9-15(24-2)10-8-14/h7-10H,3-6,11-13H2,1-2H3,(H,20,21)(H,22,23)/p-1