ethanedioic acid; 4-oxidanyl-7-[2-[6-(2-pyridin-2-ylethoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: ethanedioic acid; 4-oxidanyl-7-[2-[6-(2-pyridin-2-ylethoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 4-hydroxy-7-[2-[6-[2-(2-pyridyl)ethoxy]hexylamino]ethyl]-3H-1,3-benzothiazol-2-one; oxalic acid CAS Name: 4-hydroxy-7-[2-[6-[2-(2-pyridinyl)ethoxy]hexylamino]ethyl]-3H-1,3-benzothiazol-2-one; oxalic acid IUPAC Name: 4-hydroxy-7-[2-[6-(2-pyridin-2-ylethoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one; oxalic acid Traditional Name: 4-hydroxy-7-[2-[6-[2-(2-pyridyl)ethoxy]hexylamino]ethyl]-3H-1,3-benzothiazol-2-one; oxalic acid Formula: C24H31N3O7S MolecularWeight: 505.58384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCOCCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=NC(=C1)CCOCCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O3S.C2H2O4/c26-19-9-8-17(21-20(19)25-22(27)29-21)10-14-23-12-4-1-2-6-15-28-16-11-18-7-3-5-13-24-18;3-1(4)2(5)6/h3,5,7-9,13,23,26H,1-2,4,6,10-12,14-16H2,(H,25,27);(H,3,4)(H,5,6)