3-[3-tert-butylsulfanyl-1-[(4-tert-butylsulfanylphenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-tert-butylsulfanylphenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-tert-butylsulfanylphenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[[4-(tert-butylthio)phenyl]methyl]-5-(2-quinolinylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-tert-butylsulfanylphenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-[4-(tert-butylthio)benzyl]-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C38H44N2O3S2 MolecularWeight: 640.89756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=C2CC(C)(C)C(=O)O)SC(C)(C)C

Isomeric SMILES

CC(C)(C)SC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=C2CC(C)(C)C(=O)O)SC(C)(C)C

InChI

InChI=1S/C38H44N2O3S2/c1-36(2,3)44-29-18-13-25(14-19-29)23-40-32-20-17-28(43-24-27-16-15-26-11-9-10-12-31(26)39-27)21-30(32)34(45-37(4,5)6)33(40)22-38(7,8)35(41)42/h9-21H,22-24H2,1-8H3,(H,41,42)