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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-7-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-cinchoninamide Formula: C29H24ClN3O3S MolecularWeight: 530.03716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H24ClN3O3S/c1-3-16-4-6-18-21(13-31)29(37-26(18)10-16)33-28(34)20-12-23(17-5-9-24-25(11-17)36-14-35-24)32-27-15(2)22(30)8-7-19(20)27/h5,7-9,11-12,16H,3-4,6,10,14H2,1-2H3,(H,33,34)