3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-[(2-methylpropan-2-yl)oxy]phenyl]sulfanyl-1H-indole; propanoate

Systemtic Name: 3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-[(2-methylpropan-2-yl)oxy]phenyl]sulfanyl-1H-indole; propanoate Openeye Name: 5-(2-tert-butoxyphenyl)sulfanyl-3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole; propanoate CAS Name: 3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]thio]-1H-indole; propanoate IUPAC Name: 3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-[(2-methylpropan-2-yl)oxy]phenyl]sulfanyl-1H-indole; propanoate Traditional Name: 5-[(2-tert-butoxyphenyl)thio]-3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole; propionate Formula: C28H35N2O3S- MolecularWeight: 479.6541

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[O-].CCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4OC(C)(C)C

Isomeric SMILES

CCC(=O)[O-].CCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4OC(C)(C)C

InChI

InChI=1S/C25H30N2OS.C3H6O2/c1-5-27-14-12-18(13-15-27)21-17-26-22-11-10-19(16-20(21)22)29-24-9-7-6-8-23(24)28-25(2,3)4;1-2-3(4)5/h6-12,16-17,26H,5,13-15H2,1-4H3;2H2,1H3,(H,4,5)/p-1