3-methoxy-2-[2-[1-(2-phenylethanoyl)pyrrolidin-2-yl]ethyl]-1-benzothiophene-6-carbonitrile

Systemtic Name: 3-methoxy-2-[2-[1-(2-phenylethanoyl)pyrrolidin-2-yl]ethyl]-1-benzothiophene-6-carbonitrile Openeye Name: 3-methoxy-2-[2-[1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]benzothiophene-6-carbonitrile CAS Name: 3-methoxy-2-[2-[1-(1-oxo-2-phenylethyl)-2-pyrrolidinyl]ethyl]-1-benzothiophene-6-carbonitrile IUPAC Name: 3-methoxy-2-[2-[1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-benzothiophene-6-carbonitrile Traditional Name: 3-methoxy-2-[2-[1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]benzothiophene-6-carbonitrile Formula: C24H24N2O2S MolecularWeight: 404.52456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC2=C1C=CC(=C2)C#N)CCC3CCCN3C(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(SC2=C1C=CC(=C2)C#N)CCC3CCCN3C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O2S/c1-28-24-20-11-9-18(16-25)14-22(20)29-21(24)12-10-19-8-5-13-26(19)23(27)15-17-6-3-2-4-7-17/h2-4,6-7,9,11,14,19H,5,8,10,12-13,15H2,1H3