3-tert-butylsulfanyl-2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoate

Systemtic Name: 3-tert-butylsulfanyl-2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoate Openeye Name: 3-tert-butylsulfanyl-2,2-dimethyl-3-[5-(2-quinolylmethoxy)-1H-indol-2-yl]propanoate CAS Name: 3-(tert-butylthio)-2,2-dimethyl-3-[5-(2-quinolinylmethoxy)-1H-indol-2-yl]propanoate IUPAC Name: 3-tert-butylsulfanyl-2,2-dimethyl-3-[5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]propanoate Traditional Name: 3-(tert-butylthio)-2,2-dimethyl-3-[5-(2-quinolylmethoxy)-1H-indol-2-yl]propionate Formula: C27H29N2O3S- MolecularWeight: 461.59576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(C1=CC2=C(N1)C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(C)(C)C(=O)[O-]

Isomeric SMILES

CC(C)(C)SC(C1=CC2=C(N1)C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)C(C)(C)C(=O)[O-]

InChI

InChI=1S/C27H30N2O3S/c1-26(2,3)33-24(27(4,5)25(30)31)23-15-18-14-20(12-13-22(18)29-23)32-16-19-11-10-17-8-6-7-9-21(17)28-19/h6-15,24,29H,16H2,1-5H3,(H,30,31)/p-1