N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(5-methyl-2-thienyl)cinchoninamide Formula: C25H21N3OS2 MolecularWeight: 443.58374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)C

InChI

InChI=1S/C25H21N3OS2/c1-14-7-9-17-19(13-26)25(31-23(17)11-14)28-24(29)18-12-21(22-10-8-15(2)30-22)27-20-6-4-3-5-16(18)20/h3-6,8,10,12,14H,7,9,11H2,1-2H3,(H,28,29)/t14-/m1/s1