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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N)C#N

Isomeric SMILES

CC1=C(C=CS1)[C@H]2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N)C#N

InChI

InChI=1S/C23H21ClN4O3S/c1-12-14(6-7-32-12)20-15(11-25)22(26)27(17-5-4-13(28(30)31)8-16(17)24)18-9-23(2,3)10-19(29)21(18)20/h4-8,20H,9-10,26H2,1-3H3/t20-/m0/s1