N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)-8-methyl-quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)-8-methyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-ethoxyphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)-8-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)-8-methylquinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-o-phenetyl-cinchoninamide Formula: C30H29N3O2S MolecularWeight: 495.63516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=CC=C5OCC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=CC=C5OCC

InChI

InChI=1S/C30H29N3O2S/c1-4-19-13-14-20-24(17-31)30(36-27(20)15-19)33-29(34)23-16-25(22-10-6-7-12-26(22)35-5-2)32-28-18(3)9-8-11-21(23)28/h6-12,16,19H,4-5,13-15H2,1-3H3,(H,33,34)