dimethyl 2-(2,2,6-trimethyl-1-pyridin-3-ylcarbonyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(2,2,6-trimethyl-1-pyridin-3-ylcarbonyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[2,2,6-trimethyl-1-(pyridine-3-carbonyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,6-trimethyl-1-[oxo(3-pyridinyl)methyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2,2,6-trimethyl-1-(pyridine-3-carbonyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2,2,6-trimethyl-1-nicotinoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C25H22N2O5S3 MolecularWeight: 526.64758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H22N2O5S3/c1-13-8-9-16-15(11-13)17(24-34-18(22(29)31-4)19(35-24)23(30)32-5)20(33)25(2,3)27(16)21(28)14-7-6-10-26-12-14/h6-12H,1-5H3