1-(1,2-benzothiazol-4-yloxy)-3-[(2-methyl-1-phenyl-propan-2-yl)amino]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(1,2-benzothiazol-4-yloxy)-3-[(2-methyl-1-phenyl-propan-2-yl)amino]propan-2-ol; ethanedioic acid Openeye Name: 1-(1,2-benzothiazol-4-yloxy)-3-[(1,1-dimethyl-2-phenyl-ethyl)amino]propan-2-ol; oxalic acid CAS Name: 1-(1,2-benzothiazol-4-yloxy)-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-propanol; oxalic acid IUPAC Name: 1-(1,2-benzothiazol-4-yloxy)-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol; oxalic acid Traditional Name: 1-(1,2-benzothiazol-4-yloxy)-3-[(1,1-dimethyl-2-phenyl-ethyl)amino]propan-2-ol; oxalic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)NCC(COC2=C3C=NSC3=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)NCC(COC2=C3C=NSC3=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O2S.C2H2O4/c1-20(2,11-15-7-4-3-5-8-15)21-12-16(23)14-24-18-9-6-10-19-17(18)13-22-25-19;3-1(4)2(5)6/h3-10,13,16,21,23H,11-12,14H2,1-2H3;(H,3,4)(H,5,6)