3-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]ethylsulfanyl]phenyl]propanoic acid

Systemtic Name: 3-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]ethylsulfanyl]phenyl]propanoic acid Openeye Name: 3-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]ethylsulfanyl]phenyl]propanoic acid CAS Name: 3-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]ethylthio]phenyl]propanoic acid IUPAC Name: 3-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]ethylsulfanyl]phenyl]propanoic acid Traditional Name: 3-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]ethylthio]phenyl]propionic acid Formula: C26H22F3NO2S2 MolecularWeight: 501.58359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC(C)C2=CC3=C(C=C2)N=C(S3)C4=CC=C(C=C4)C(F)(F)F)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC(C)C2=CC3=C(C=C2)N=C(S3)C4=CC=C(C=C4)C(F)(F)F)CCC(=O)O

InChI

InChI=1S/C26H22F3NO2S2/c1-15-13-21(10-5-17(15)7-12-24(31)32)33-16(2)19-6-11-22-23(14-19)34-25(30-22)18-3-8-20(9-4-18)26(27,28)29/h3-6,8-11,13-14,16H,7,12H2,1-2H3,(H,31,32)