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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[O-].CCN1CCC(=CC1)C2=CN(C3=CC=CC=C32)SC4=CC=CC=C4OC(C)(C)C

Isomeric SMILES

CCC(=O)[O-].CCN1CCC(=CC1)C2=CN(C3=CC=CC=C32)SC4=CC=CC=C4OC(C)(C)C

InChI

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