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

Systemtic Name: dimethyl 2-[2,2-dimethyl-1-(phenylcarbonyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(1-benzoyl-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(1-benzoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-benzoyl-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C25H21NO5S3 MolecularWeight: 511.63294

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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)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO5S3/c1-25(2)20(32)17(24-33-18(22(28)30-3)19(34-24)23(29)31-4)15-12-8-9-13-16(15)26(25)21(27)14-10-6-5-7-11-14/h5-13H,1-4H3