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2-[5-[1,3-benzoxazol-2-yl(pentyl)amino]pentylsulfanyl]benzoic acid

2-[5-[1,3-benzoxazol-2-yl(pentyl)amino]pentylsulfanyl]benzoic acid

Systemtic Name:2-[5-[1,3-benzoxazol-2-yl(pentyl)amino]pentylsulfanyl]benzoic acid
Openeye Name:2-[5-[1,3-benzoxazol-2-yl(pentyl)amino]pentylsulfanyl]benzoic acid
CAS Name:2-[5-[1,3-benzoxazol-2-yl(pentyl)amino]pentylthio]benzoic acid
IUPAC Name:2-[5-[1,3-benzoxazol-2-yl(pentyl)amino]pentylsulfanyl]benzoic acid
Traditional Name:2-[5-[amyl(1,3-benzoxazol-2-yl)amino]pentylthio]benzoic acid
Formula: C24H30N2O3S
MolecularWeight: 426.5716
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCCSC1=CC=CC=C1C(=O)O)C2=NC3=CC=CC=C3O2


Isomeric SMILES

CCCCCN(CCCCCSC1=CC=CC=C1C(=O)O)C2=NC3=CC=CC=C3O2


InChI

InChI=1S/C24H30N2O3S/c1-2-3-9-16-26(24-25-20-13-6-7-14-21(20)29-24)17-10-4-11-18-30-22-15-8-5-12-19(22)23(27)28/h5-8,12-15H,2-4,9-11,16-18H2,1H3,(H,27,28)


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