3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-[4-(2-methylpropoxy)phenyl]sulfanyl-1H-indole ethanoate

Systemtic Name: 3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-[4-(2-methylpropoxy)phenyl]sulfanyl-1H-indole ethanoate Openeye Name: 3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-isobutoxyphenyl)sulfanyl-1H-indole acetate CAS Name: 3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[4-(2-methylpropoxy)phenyl]thio]-1H-indole acetate IUPAC Name: 3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-[4-(2-methylpropoxy)phenyl]sulfanyl-1H-indole acetate Traditional Name: 3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-[(4-isobutoxyphenyl)thio]-1H-indole acetate Formula: C29H37N2O3S- MolecularWeight: 493.68068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)SC2=CC3=C(C=C2)NC=C3C4=CCN(CC4)C(C)(C)C.CC(=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)SC2=CC3=C(C=C2)NC=C3C4=CCN(CC4)C(C)(C)C.CC(=O)[O-]

InChI

InChI=1S/C27H34N2OS.C2H4O2/c1-19(2)18-30-21-6-8-22(9-7-21)31-23-10-11-26-24(16-23)25(17-28-26)20-12-14-29(15-13-20)27(3,4)5;1-2(3)4/h6-12,16-17,19,28H,13-15,18H2,1-5H3;1H3,(H,3,4)/p-1