2-[[[2-(2-cyanophenyl)-1-benzothiophen-5-yl]methylamino]methyl]-2-ethyl-butanoic acid

Systemtic Name: 2-[[[2-(2-cyanophenyl)-1-benzothiophen-5-yl]methylamino]methyl]-2-ethyl-butanoic acid Openeye Name: 2-[[[2-(2-cyanophenyl)benzothiophen-5-yl]methylamino]methyl]-2-ethyl-butanoic acid CAS Name: 2-[[[2-(2-cyanophenyl)-1-benzothiophen-5-yl]methylamino]methyl]-2-ethylbutanoic acid IUPAC Name: 2-[[[2-(2-cyanophenyl)-1-benzothiophen-5-yl]methylamino]methyl]-2-ethylbutanoic acid Traditional Name: 2-[[[2-(2-cyanophenyl)benzothiophen-5-yl]methylamino]methyl]-2-ethyl-butyric acid Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CNCC1=CC2=C(C=C1)SC(=C2)C3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

CCC(CC)(CNCC1=CC2=C(C=C1)SC(=C2)C3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C23H24N2O2S/c1-3-23(4-2,22(26)27)15-25-14-16-9-10-20-18(11-16)12-21(28-20)19-8-6-5-7-17(19)13-24/h5-12,25H,3-4,14-15H2,1-2H3,(H,26,27)