(4S)-2-azanyl-1-(2-chloranyl-4-nitro-phenyl)-5-oxidanylidene-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-1-(2-chloranyl-4-nitro-phenyl)-5-oxidanylidene-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2-amino-1-(2-chloro-4-nitro-phenyl)-5-oxo-4-(3-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2-amino-1-(2-chloro-4-nitrophenyl)-5-oxo-4-(3-thiophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-1-(2-chloro-4-nitrophenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-2-amino-1-(2-chloro-4-nitro-phenyl)-5-keto-4-(3-thienyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H15ClN4O3S MolecularWeight: 426.8761

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N)C#N)C4=CSC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](C(=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N)C#N)C4=CSC=C4)C(=O)C1

InChI

InChI=1S/C20H15ClN4O3S/c21-14-8-12(25(27)28)4-5-15(14)24-16-2-1-3-17(26)19(16)18(11-6-7-29-10-11)13(9-22)20(24)23/h4-8,10,18H,1-3,23H2/t18-/m0/s1