(4S)-2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: (4S)-2-amino-1-(3-chloro-2-methyl-phenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: (4S)-2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-(5-nitro-2-thiophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: (4S)-2-amino-1-(3-chloro-2-methyl-phenyl)-5-keto-7,7-dimethyl-4-(5-nitro-2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C23H21ClN4O3S MolecularWeight: 468.95584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)[N+](=O)[O-])C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=C([C@H](C(=C2N)C#N)C4=CC=C(S4)[N+](=O)[O-])C(=O)CC(C3)(C)C

InChI

InChI=1S/C23H21ClN4O3S/c1-12-14(24)5-4-6-15(12)27-16-9-23(2,3)10-17(29)21(16)20(13(11-25)22(27)26)18-7-8-19(32-18)28(30)31/h4-8,20H,9-10,26H2,1-3H3/t20-/m1/s1