5-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-benzothiazol-2-amine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 5-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-benzothiazol-2-amine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 5-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-benzothiazol-2-amine citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 5-methoxy-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1,3-benzothiazol-2-amine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 5-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-benzothiazol-2-amine Traditional Name: (5-methoxy-1,3-benzothiazol-2-yl)-[4-(2-pyrrolidinoethoxy)phenyl]amine citrate Formula: C26H28N3O9S-3 MolecularWeight: 558.58022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)NC3=CC=C(C=C3)OCCN4CCCC4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)NC3=CC=C(C=C3)OCCN4CCCC4.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C20H23N3O2S.C6H8O7/c1-24-17-8-9-19-18(14-17)22-20(26-19)21-15-4-6-16(7-5-15)25-13-12-23-10-2-3-11-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9,14H,2-3,10-13H2,1H3,(H,21,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3