2-[(2S)-3-[[1-(1-benzothiophen-2-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-[(2S)-3-[[1-(1-benzothiophen-2-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[(2S)-3-[[2-(benzothiophen-2-yl)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 2-[(2S)-3-[[1-(1-benzothiophen-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 2-[(2S)-3-[[1-(1-benzothiophen-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]benzonitrile Traditional Name: 2-[(2S)-3-[[2-(benzothiophen-2-yl)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propoxy]benzonitrile Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2S1)NCC(COC3=CC=CC=C3C#N)O

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2S1)NC[C@@H](COC3=CC=CC=C3C#N)O

InChI

InChI=1S/C22H24N2O2S/c1-22(2,12-19-11-16-7-4-6-10-21(16)27-19)24-14-18(25)15-26-20-9-5-3-8-17(20)13-23/h3-11,18,24-25H,12,14-15H2,1-2H3/t18-/m0/s1