(4S)-2-azanyl-1-(5-bromanylpyridin-2-yl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-1-(5-bromanylpyridin-2-yl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: (4S)-2-amino-1-(5-bromo-2-pyridyl)-4-(5-tert-butyl-2-thienyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: (4S)-2-amino-1-(5-bromo-2-pyridinyl)-4-(5-tert-butyl-2-thiophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-1-(5-bromopyridin-2-yl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: (4S)-2-amino-1-(5-bromo-2-pyridyl)-4-(5-tert-butyl-2-thienyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H27BrN4OS MolecularWeight: 511.47708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NC=C(C=C3)Br)N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(N2C3=NC=C(C=C3)Br)N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)C1)C

InChI

InChI=1S/C25H27BrN4OS/c1-24(2,3)19-8-7-18(32-19)21-15(12-27)23(28)30(20-9-6-14(26)13-29-20)16-10-25(4,5)11-17(31)22(16)21/h6-9,13,21H,10-11,28H2,1-5H3/t21-/m1/s1