2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]ethanoic acid Openeye Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]acetic acid CAS Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-[[4-(methylthio)phenyl]methyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]acetic acid Traditional Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-[4-(methylthio)benzyl]indol-3-yl]acetic acid Formula: C27H24N2O3S2 MolecularWeight: 488.62106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)OCC4=NC5=CC=CC=C5S4)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)OCC4=NC5=CC=CC=C5S4)CC(=O)O

InChI

InChI=1S/C27H24N2O3S2/c1-17-21(14-27(30)31)22-13-19(32-16-26-28-23-5-3-4-6-25(23)34-26)9-12-24(22)29(17)15-18-7-10-20(33-2)11-8-18/h3-13H,14-16H2,1-2H3,(H,30,31)