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

Systemtic Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-2-carboxylate Openeye Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)indole-2-carboxylate CAS Name: 3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-(2-quinolinylmethoxy)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-2-carboxylate Traditional Name: 3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(2-quinolylmethoxy)indole-2-carboxylic acid ethyl ester Formula: C32H31ClN2O3S MolecularWeight: 559.11814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)SC(C)(C)C

InChI

InChI=1S/C32H31ClN2O3S/c1-5-37-31(36)29-30(39-32(2,3)4)26-18-25(38-20-24-15-12-22-8-6-7-9-27(22)34-24)16-17-28(26)35(29)19-21-10-13-23(33)14-11-21/h6-18H,5,19-20H2,1-4H3