2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-[2-(4-methoxyphenyl)thiazol-4-yl]ethanamine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-[2-(4-methoxyphenyl)-4-thiazolyl]ethanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine Traditional Name: citric acid; 2-[2-(4-methoxyphenyl)thiazol-4-yl]ethylamine Formula: C18H22N2O8S MolecularWeight: 426.44088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)CCN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)CCN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C12H14N2OS.C6H8O7/c1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-5,8H,6-7,13H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)