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

Systemtic Name: (4S)-2-azanyl-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: (4S)-2-amino-1-(4-bromophenyl)-4-(5-tert-butyl-2-thienyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: (4S)-2-amino-1-(4-bromophenyl)-4-(5-tert-butyl-2-thiophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: (4S)-2-amino-1-(4-bromophenyl)-4-(5-tert-butyl-2-thienyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C26H28BrN3OS MolecularWeight: 510.48902

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28BrN3OS/c1-25(2,3)21-11-10-20(32-21)22-17(14-28)24(29)30(16-8-6-15(27)7-9-16)18-12-26(4,5)13-19(31)23(18)22/h6-11,22H,12-13,29H2,1-5H3/t22-/m1/s1