2-(4-chlorophenyl)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]cinchoninamide Formula: C27H22ClN3OS MolecularWeight: 472.00108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H22ClN3OS/c1-2-16-7-12-20-22(15-29)27(33-25(20)13-16)31-26(32)21-14-24(17-8-10-18(28)11-9-17)30-23-6-4-3-5-19(21)23/h3-6,8-11,14,16H,2,7,12-13H2,1H3,(H,31,32)/t16-/m1/s1