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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-3,6-dimethyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethoxyphenyl)-3,6-dimethyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-3,6-dimethyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-3,6-dimethylquinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-2-p-phenetyl-cinchoninamide Formula: C31H31N3O2S MolecularWeight: 509.66174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC=C(C=C5)OCC)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC=C(C=C5)OCC)C

InChI

InChI=1S/C31H31N3O2S/c1-5-20-8-13-23-25(17-32)31(37-27(23)16-20)34-30(35)28-19(4)29(21-9-11-22(12-10-21)36-6-2)33-26-14-7-18(3)15-24(26)28/h7,9-12,14-15,20H,5-6,8,13,16H2,1-4H3,(H,34,35)