2-(4-cyanophenyl)-2-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]pentanoic acid

Systemtic Name: 2-(4-cyanophenyl)-2-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]pentanoic acid Openeye Name: 2-(4-cyanophenyl)-2-[(5,6-dimethoxybenzothiophen-2-yl)methyl]pentanoic acid CAS Name: 2-(4-cyanophenyl)-2-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]pentanoic acid IUPAC Name: 2-(4-cyanophenyl)-2-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]pentanoic acid Traditional Name: 2-(4-cyanophenyl)-2-[(5,6-dimethoxybenzothiophen-2-yl)methyl]valeric acid Formula: C23H23NO4S MolecularWeight: 409.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CCCC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C23H23NO4S/c1-4-9-23(22(25)26,17-7-5-15(14-24)6-8-17)13-18-10-16-11-19(27-2)20(28-3)12-21(16)29-18/h5-8,10-12H,4,9,13H2,1-3H3,(H,25,26)