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

Systemtic Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]heptanoic acid Openeye Name: 2-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanylheptanoic acid CAS Name: 2-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]heptanoic acid IUPAC Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]heptanoic acid Traditional Name: 2-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]enanthic acid Formula: C22H21Cl2NO3S MolecularWeight: 450.37804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2NO3S/c1-2-3-4-5-18(21(26)27)29-22-25-19(14-6-10-16(23)11-7-14)20(28-22)15-8-12-17(24)13-9-15/h6-13,18H,2-5H2,1H3,(H,26,27)