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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=C5OCC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=C5OCC

InChI

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