8-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: 8-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: 8-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: 8-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 8-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: 8-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-p-phenetyl-cinchoninamide Formula: C29H26ClN3O2S MolecularWeight: 516.05364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=C(C=C5)OCC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=C(C=C5)OCC

InChI

InChI=1S/C29H26ClN3O2S/c1-3-17-8-13-20-23(16-31)29(36-26(20)14-17)33-28(34)22-15-25(18-9-11-19(12-10-18)35-4-2)32-27-21(22)6-5-7-24(27)30/h5-7,9-12,15,17H,3-4,8,13-14H2,1-2H3,(H,33,34)