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

Systemtic Name: 8-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-p-phenetyl-cinchoninamide Formula: C27H22ClN3O2S MolecularWeight: 488.00048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C27H22ClN3O2S/c1-2-33-17-12-10-16(11-13-17)23-14-20(19-7-5-8-22(28)25(19)30-23)26(32)31-27-21(15-29)18-6-3-4-9-24(18)34-27/h5,7-8,10-14H,2-4,6,9H2,1H3,(H,31,32)