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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-ethoxyphenyl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-m-phenetyl-cinchoninamide Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C)C

InChI

InChI=1S/C29H27N3O2S/c1-4-34-20-9-7-8-19(14-20)25-15-23(22-13-17(2)12-18(3)27(22)31-25)28(33)32-29-24(16-30)21-10-5-6-11-26(21)35-29/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,32,33)