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

Systemtic Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-methyl-propanedioic acid Openeye Name: 2-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanyl-2-methyl-propanedioic acid CAS Name: 2-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]-2-methylpropanedioic acid IUPAC Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-methylpropanedioic acid Traditional Name: 2-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]-2-methyl-malonic acid Formula: C19H13Cl2NO5S MolecularWeight: 438.28122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13Cl2NO5S/c1-19(16(23)24,17(25)26)28-18-22-14(10-2-6-12(20)7-3-10)15(27-18)11-4-8-13(21)9-5-11/h2-9H,1H3,(H,23,24)(H,25,26)