3-[2-carboxyethylsulfanyl-[3-[(E)-2-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethenyl]phenyl]methyl]-5-ethanoyl-benzoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-[3-[(E)-2-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethenyl]phenyl]methyl]-5-ethanoyl-benzoic acid Openeye Name: 3-acetyl-5-[2-carboxyethylsulfanyl-[3-[(E)-2-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]vinyl]phenyl]methyl]benzoic acid CAS Name: 3-acetyl-5-[(2-carboxyethylthio)-[3-[(E)-2-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethenyl]phenyl]methyl]benzoic acid IUPAC Name: 3-acetyl-5-[2-carboxyethylsulfanyl-[3-[(E)-2-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethenyl]phenyl]methyl]benzoic acid Traditional Name: 3-acetyl-5-[(2-carboxyethylthio)-[3-[(E)-2-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]vinyl]phenyl]methyl]benzoic acid Formula: C29H22F3NO6S MolecularWeight: 569.54829

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1)C(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC=C4O3)C(F)(F)F)SCCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1)C(C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC=C4O3)C(F)(F)F)SCCC(=O)O)C(=O)O

InChI

InChI=1S/C29H22F3NO6S/c1-16(34)19-13-20(15-21(14-19)28(37)38)27(40-11-10-25(35)36)18-5-2-4-17(12-18)8-9-24-33-26-22(29(30,31)32)6-3-7-23(26)39-24/h2-9,12-15,27H,10-11H2,1H3,(H,35,36)(H,37,38)/b9-8+