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

Systemtic Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-3-methyl-butanoic acid Openeye Name: 2-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanyl-3-methyl-butanoic acid CAS Name: 2-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]-3-methylbutanoic acid IUPAC Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-3-methylbutanoic acid Traditional Name: 2-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]-3-methyl-butyric acid Formula: C20H17Cl2NO3S MolecularWeight: 422.32488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2NO3S/c1-11(2)18(19(24)25)27-20-23-16(12-3-7-14(21)8-4-12)17(26-20)13-5-9-15(22)10-6-13/h3-11,18H,1-2H3,(H,24,25)