2-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)butoxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)butoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)butoxy]phenyl]acetic acid CAS Name: 2-[4-[4-(1,3-benzothiazol-2-ylthio)butoxy]phenyl]acetic acid IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)butoxy]phenyl]acetic acid Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-ylthio)butoxy]phenyl]acetic acid Formula: C19H19NO3S2 MolecularWeight: 373.48906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCCOC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCCOC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C19H19NO3S2/c21-18(22)13-14-7-9-15(10-8-14)23-11-3-4-12-24-19-20-16-5-1-2-6-17(16)25-19/h1-2,5-10H,3-4,11-13H2,(H,21,22)