4-(3-bromanyl-1-benzothiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(3-bromanyl-1-benzothiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(3-bromobenzothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(3-bromo-1-benzothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(3-bromo-1-benzothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(3-bromobenzothiophen-2-yl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C21H19BrN2OS MolecularWeight: 427.35736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C4=CC=CC=C4S3)Br)C#N

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C4=CC=CC=C4S3)Br)C#N

InChI

InChI=1S/C21H19BrN2OS/c1-11-13(10-23)17(18-14(24-11)8-21(2,3)9-15(18)25)20-19(22)12-6-4-5-7-16(12)26-20/h4-7,17,24H,8-9H2,1-3H3