dimethyl 2-[2,2-dimethyl-1-(2-phenylethanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[2,2-dimethyl-1-(2-phenylethanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[2,2-dimethyl-1-(2-phenylacetyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2-dimethyl-1-(1-oxo-2-phenylethyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2,2-dimethyl-1-(2-phenylacetyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2,2-dimethyl-1-(2-phenylacetyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C26H23NO5S3 MolecularWeight: 525.65952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H23NO5S3/c1-26(2)22(33)19(25-34-20(23(29)31-3)21(35-25)24(30)32-4)16-12-8-9-13-17(16)27(26)18(28)14-15-10-6-5-7-11-15/h5-13H,14H2,1-4H3