2-[3-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid

Systemtic Name: 2-[3-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Openeye Name: 2-[3-[[6-(1,3-benzothiazol-2-yl)-2-naphthyl]oxy]propyl]propanedioic acid CAS Name: 2-[3-[[6-(1,3-benzothiazol-2-yl)-2-naphthalenyl]oxy]propyl]propanedioic acid IUPAC Name: 2-[3-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Traditional Name: 2-[3-[6-(1,3-benzothiazol-2-yl)-2-naphthoxy]propyl]malonic acid Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C3)C=C(C=C4)OCCCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C3)C=C(C=C4)OCCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C23H19NO5S/c25-22(26)18(23(27)28)4-3-11-29-17-10-9-14-12-16(8-7-15(14)13-17)21-24-19-5-1-2-6-20(19)30-21/h1-2,5-10,12-13,18H,3-4,11H2,(H,25,26)(H,27,28)