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

Systemtic Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-m-phenetyl-cinchoninamide Formula: C31H31N3O2S MolecularWeight: 509.66174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)C[C@@H](CC5)C(C)(C)C)C#N

InChI

InChI=1S/C31H31N3O2S/c1-5-36-21-10-8-9-19(15-21)27-17-24(22-11-6-7-12-26(22)33-27)29(35)34-30-25(18-32)23-14-13-20(31(2,3)4)16-28(23)37-30/h6-12,15,17,20H,5,13-14,16H2,1-4H3,(H,34,35)/t20-/m1/s1