3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-2-carboxylic acid

Systemtic Name: 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-2-carboxylic acid Openeye Name: 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)indole-2-carboxylic acid CAS Name: 3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-(2-quinolinylmethoxy)-2-indolecarboxylic acid IUPAC Name: 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-2-carboxylic acid Traditional Name: 3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(2-quinolylmethoxy)indole-2-carboxylic acid Formula: C30H27ClN2O3S MolecularWeight: 531.06498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C30H27ClN2O3S/c1-30(2,3)37-28-24-16-23(36-18-22-13-10-20-6-4-5-7-25(20)32-22)14-15-26(24)33(27(28)29(34)35)17-19-8-11-21(31)12-9-19/h4-16H,17-18H2,1-3H3,(H,34,35)