6-methyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: 6-methyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: 6-methyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: 6-methyl-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: 6-methyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: 6-methyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-2,3-dihydrobenzothiophene-2-carboxamide Formula: C23H18N2OS MolecularWeight: 370.46682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)C=C1

InChI

InChI=1S/C23H18N2OS/c1-16-8-10-18-15-22(27-21(18)13-16)23(26)25-20-7-4-5-17(14-20)9-11-19-6-2-3-12-24-19/h2-8,10,12-14,22H,15H2,1H3,(H,25,26)