2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanylhexanoic acid CAS Name: 2-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]hexanoic acid IUPAC Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]hexanoic acid Formula: C21H19Cl2NO3S MolecularWeight: 436.35146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19Cl2NO3S/c1-2-3-4-17(20(25)26)28-21-24-18(13-5-9-15(22)10-6-13)19(27-21)14-7-11-16(23)12-8-14/h5-12,17H,2-4H2,1H3,(H,25,26)