2-azanyl-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-keto-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H26N4OS MolecularWeight: 454.58654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C27H26N4OS/c1-27(2)12-20-24(21(32)13-27)23(16-8-4-3-5-9-16)19(15-29)25(30)31(20)26-18(14-28)17-10-6-7-11-22(17)33-26/h3-5,8-9,23H,6-7,10-13,30H2,1-2H3