(4S)-7,7-dimethyl-5-oxidanylidene-2-phenyl-4-thiophen-2-yl-1,4,6,8-tetrahydropyrazolo[3,4-b]quinolin-3-olate

Systemtic Name: (4S)-7,7-dimethyl-5-oxidanylidene-2-phenyl-4-thiophen-2-yl-1,4,6,8-tetrahydropyrazolo[3,4-b]quinolin-3-olate Openeye Name: (4S)-7,7-dimethyl-5-oxo-2-phenyl-4-(2-thienyl)-1,4,6,8-tetrahydropyrazolo[3,4-b]quinolin-3-olate CAS Name: (4S)-7,7-dimethyl-5-oxo-2-phenyl-4-thiophen-2-yl-1,4,6,8-tetrahydropyrazolo[3,4-b]quinolin-3-olate IUPAC Name: (4S)-7,7-dimethyl-5-oxo-2-phenyl-4-thiophen-2-yl-1,4,6,8-tetrahydropyrazolo[3,4-b]quinolin-3-olate Traditional Name: (4S)-5-keto-7,7-dimethyl-2-phenyl-4-(2-thienyl)-1,4,6,8-tetrahydropyrazolo[3,4-b]quinolin-3-olate Formula: C22H20N3O2S- MolecularWeight: 390.4781

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N(NC3=N2)C4=CC=CC=C4)[O-])C5=CC=CS5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C3=C(N(NC3=N2)C4=CC=CC=C4)[O-])C5=CC=CS5)C(=O)C1)C

InChI

InChI=1S/C22H21N3O2S/c1-22(2)11-14-17(15(26)12-22)18(16-9-6-10-28-16)19-20(23-14)24-25(21(19)27)13-7-4-3-5-8-13/h3-10,18,27H,11-12H2,1-2H3,(H,23,24)/p-1/t18-/m1/s1