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

Systemtic Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-ethyl-propanedioic acid Openeye Name: 2-[4,5-bis(4-chlorophenyl)oxazol-2-yl]sulfanyl-2-ethyl-propanedioic acid CAS Name: 2-[[4,5-bis(4-chlorophenyl)-2-oxazolyl]thio]-2-ethylpropanedioic acid IUPAC Name: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-2-ethylpropanedioic acid Traditional Name: 2-[[4,5-bis(4-chlorophenyl)oxazol-2-yl]thio]-2-ethyl-malonic acid Formula: C20H15Cl2NO5S MolecularWeight: 452.3078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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/C20H15Cl2NO5S/c1-2-20(17(24)25,18(26)27)29-19-23-15(11-3-7-13(21)8-4-11)16(28-19)12-5-9-14(22)10-6-12/h3-10H,2H2,1H3,(H,24,25)(H,26,27)