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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-p-phenetyl-cinchoninamide Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O2S/c1-2-32-18-13-11-17(12-14-18)24-15-21(19-7-3-5-9-23(19)29-24)26(31)30-27-22(16-28)20-8-4-6-10-25(20)33-27/h3,5,7,9,11-15H,2,4,6,8,10H2,1H3,(H,30,31)