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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C

InChI

InChI=1S/C29H27N3O2S/c1-4-34-20-12-10-19(11-13-20)27-18(3)26(22-15-17(2)9-14-24(22)31-27)28(33)32-29-23(16-30)21-7-5-6-8-25(21)35-29/h9-15H,4-8H2,1-3H3,(H,32,33)