(4S)-1-(4-bromanyl-2-methyl-phenyl)-7,7-dimethyl-5-oxidanylidene-2-pyrrol-1-yl-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4S)-1-(4-bromanyl-2-methyl-phenyl)-7,7-dimethyl-5-oxidanylidene-2-pyrrol-1-yl-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: (4S)-1-(4-bromo-2-methyl-phenyl)-7,7-dimethyl-5-oxo-2-pyrrol-1-yl-4-(3-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: (4S)-1-(4-bromo-2-methylphenyl)-7,7-dimethyl-5-oxo-2-(1-pyrrolyl)-4-(3-thiophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S)-1-(4-bromo-2-methylphenyl)-7,7-dimethyl-5-oxo-2-pyrrol-1-yl-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: (4S)-1-(4-bromo-2-methyl-phenyl)-5-keto-7,7-dimethyl-2-pyrrol-1-yl-4-(3-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H24BrN3OS MolecularWeight: 518.46796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CSC=C5)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C3=C([C@H](C(=C2N4C=CC=C4)C#N)C5=CSC=C5)C(=O)CC(C3)(C)C

InChI

InChI=1S/C27H24BrN3OS/c1-17-12-19(28)6-7-21(17)31-22-13-27(2,3)14-23(32)25(22)24(18-8-11-33-16-18)20(15-29)26(31)30-9-4-5-10-30/h4-12,16,24H,13-14H2,1-3H3/t24-/m0/s1