methyl 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]ethanoate

Systemtic Name: methyl 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]ethanoate Openeye Name: methyl 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]acetate CAS Name: 2-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-(2-quinolinylmethoxy)-2-indolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]acetate Traditional Name: 2-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(2-quinolylmethoxy)indol-2-yl]acetic acid methyl ester Formula: C32H31ClN2O3S MolecularWeight: 559.11814

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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)CC(=O)OC

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)CC(=O)OC

InChI

InChI=1S/C32H31ClN2O3S/c1-32(2,3)39-31-26-17-25(38-20-24-14-11-22-7-5-6-8-27(22)34-24)15-16-28(26)35(29(31)18-30(36)37-4)19-21-9-12-23(33)13-10-21/h5-17H,18-20H2,1-4H3