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

Systemtic Name: 7-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: 7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: 7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: 7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(3-propoxyphenyl)cinchoninamide Formula: C31H30ClN3O2S MolecularWeight: 544.1068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

InChI

InChI=1S/C31H30ClN3O2S/c1-4-13-37-21-8-6-7-20(15-21)27-16-24(23-11-12-26(32)18(3)29(23)34-27)30(36)35-31-25(17-33)22-10-9-19(5-2)14-28(22)38-31/h6-8,11-12,15-16,19H,4-5,9-10,13-14H2,1-3H3,(H,35,36)