(4S)-2-azanyl-4-(5-bromanylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(5-bromanylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-2-amino-4-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-2-amino-4-(5-bromo-2-thiophenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-2-amino-4-(5-bromo-2-thienyl)-5-keto-1-(4-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H15BrN4O3S MolecularWeight: 471.3271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC=C(S4)Br)C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC=C(S4)Br)C(=O)C1

InChI

InChI=1S/C20H15BrN4O3S/c21-17-9-8-16(29-17)18-13(10-22)20(23)24(14-2-1-3-15(26)19(14)18)11-4-6-12(7-5-11)25(27)28/h4-9,18H,1-3,23H2/t18-/m1/s1