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

Systemtic Name: (4S)-7,7-dimethyl-1-(4-methyl-2-nitro-phenyl)-5-oxidanylidene-2-pyrrol-1-yl-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: (4S)-7,7-dimethyl-1-(4-methyl-2-nitro-phenyl)-5-oxo-2-pyrrol-1-yl-4-(3-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: (4S)-7,7-dimethyl-1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1-pyrrolyl)-4-(3-thiophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S)-7,7-dimethyl-1-(4-methyl-2-nitrophenyl)-5-oxo-2-pyrrol-1-yl-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: (4S)-5-keto-7,7-dimethyl-1-(4-methyl-2-nitro-phenyl)-2-pyrrol-1-yl-4-(3-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CSC=C5)C(=O)CC(C3)(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O3S/c1-17-6-7-20(21(12-17)31(33)34)30-22-13-27(2,3)14-23(32)25(22)24(18-8-11-35-16-18)19(15-28)26(30)29-9-4-5-10-29/h4-12,16,24H,13-14H2,1-3H3/t24-/m0/s1