1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-ethoxyphenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-ethoxyphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(4-ethoxyphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(4-ethoxyphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-ethoxyphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)piperidino]-3-(4-ethoxyphenoxy)propan-2-ol; oxalic acid Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(CN2CCCC(C2)C3=NC4=CC=CC=C4S3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(CN2CCCC(C2)C3=NC4=CC=CC=C4S3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N2O3S.C2H2O4/c1-2-27-19-9-11-20(12-10-19)28-16-18(26)15-25-13-5-6-17(14-25)23-24-21-7-3-4-8-22(21)29-23;3-1(4)2(5)6/h3-4,7-12,17-18,26H,2,5-6,13-16H2,1H3;(H,3,4)(H,5,6)