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

Systemtic Name: ethanedioic acid; 4-oxidanyl-7-[2-[6-(3-phenylpropoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 4-hydroxy-7-[2-[6-(3-phenylpropoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one; oxalic acid CAS Name: 4-hydroxy-7-[2-[6-(3-phenylpropoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one; oxalic acid IUPAC Name: 4-hydroxy-7-[2-[6-(3-phenylpropoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one; oxalic acid Traditional Name: 4-hydroxy-7-[2-[6-(3-phenylpropoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one; oxalic acid Formula: C26H34N2O7S MolecularWeight: 518.62236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOCCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCOCCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32N2O3S.C2H2O4/c27-21-13-12-20(23-22(21)26-24(28)30-23)14-16-25-15-6-1-2-7-17-29-18-8-11-19-9-4-3-5-10-19;3-1(4)2(5)6/h3-5,9-10,12-13,25,27H,1-2,6-8,11,14-18H2,(H,26,28);(H,3,4)(H,5,6)