(3S)-3-(1,3-benzothiazol-2-yl)-1-methyl-6-nitro-spiro[4H-quinoline-2,1'-cyclohexane]-3-carbonitrile

Systemtic Name: (3S)-3-(1,3-benzothiazol-2-yl)-1-methyl-6-nitro-spiro[4H-quinoline-2,1'-cyclohexane]-3-carbonitrile Openeye Name: (3S)-3-(1,3-benzothiazol-2-yl)-1-methyl-6-nitro-spiro[4H-quinoline-2,1'-cyclohexane]-3-carbonitrile CAS Name: (3S)-3-(1,3-benzothiazol-2-yl)-1-methyl-6-nitro-3-spiro[4H-quinoline-2,1'-cyclohexane]carbonitrile IUPAC Name: (3S)-3-(1,3-benzothiazol-2-yl)-1-methyl-6-nitrospiro[4H-quinoline-2,1'-cyclohexane]-3-carbonitrile Traditional Name: (3S)-3-(1,3-benzothiazol-2-yl)-1-methyl-6-nitro-spiro[4H-quinoline-2,1'-cyclohexane]-3-carbonitrile Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(C13CCCCC3)(C#N)C4=NC5=CC=CC=C5S4)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C[C@](C13CCCCC3)(C#N)C4=NC5=CC=CC=C5S4)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O2S/c1-26-19-10-9-17(27(28)29)13-16(19)14-22(15-24,23(26)11-5-2-6-12-23)21-25-18-7-3-4-8-20(18)30-21/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3/t22-/m0/s1