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

Systemtic Name: [5-(quinolin-2-ylmethoxy)-1H-indol-2-yl] 2,2-dimethyl-3-phenylsulfanyl-propanoate Openeye Name: [5-(2-quinolylmethoxy)-1H-indol-2-yl] 2,2-dimethyl-3-phenylsulfanyl-propanoate CAS Name: 2,2-dimethyl-3-(phenylthio)propanoic acid [5-(2-quinolinylmethoxy)-1H-indol-2-yl] ester IUPAC Name: [5-(quinolin-2-ylmethoxy)-1H-indol-2-yl] 2,2-dimethyl-3-phenylsulfanylpropanoate Traditional Name: 2,2-dimethyl-3-(phenylthio)propionic acid [5-(2-quinolylmethoxy)-1H-indol-2-yl] ester Formula: C29H26N2O3S MolecularWeight: 482.59334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=CC=CC=C1)C(=O)OC2=CC3=C(N2)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(CSC1=CC=CC=C1)C(=O)OC2=CC3=C(N2)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H26N2O3S/c1-29(2,19-35-24-9-4-3-5-10-24)28(32)34-27-17-21-16-23(14-15-26(21)31-27)33-18-22-13-12-20-8-6-7-11-25(20)30-22/h3-17,31H,18-19H2,1-2H3