2-azanyl-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-keto-7,7-dimethyl-4-(3-nitrophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C27H25N5O3S/c1-27(2)11-20-24(21(33)12-27)23(15-6-5-7-16(10-15)32(34)35)19(14-29)25(30)31(20)26-18(13-28)17-8-3-4-9-22(17)36-26/h5-7,10,23H,3-4,8-9,11-12,30H2,1-2H3