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

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

Systemtic Name:2-[5-[1,3-benzoxazol-2-yl(butyl)amino]pentylsulfanyl]benzoic acid
Openeye Name:2-[5-[1,3-benzoxazol-2-yl(butyl)amino]pentylsulfanyl]benzoic acid
CAS Name:2-[5-[1,3-benzoxazol-2-yl(butyl)amino]pentylthio]benzoic acid
IUPAC Name:2-[5-[1,3-benzoxazol-2-yl(butyl)amino]pentylsulfanyl]benzoic acid
Traditional Name:2-[5-[1,3-benzoxazol-2-yl(butyl)amino]pentylthio]benzoic acid
Formula: C23H28N2O3S
MolecularWeight: 412.54502
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H28N2O3S/c1-2-3-15-25(23-24-19-12-6-7-13-20(19)28-23)16-9-4-10-17-29-21-14-8-5-11-18(21)22(26)27/h5-8,11-14H,2-4,9-10,15-17H2,1H3,(H,26,27)


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