N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isopropoxyphenyl)-6-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isopropoxyphenyl)-6-methyl-cinchoninamide Formula: C31H31N3O2S MolecularWeight: 509.66174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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