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

Systemtic Name: dimethyl 2-(6-methoxy-2,2-dimethyl-1-pyridin-3-ylcarbonyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[6-methoxy-2,2-dimethyl-1-(pyridine-3-carbonyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-methoxy-2,2-dimethyl-1-[oxo(3-pyridinyl)methyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[6-methoxy-2,2-dimethyl-1-(pyridine-3-carbonyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(6-methoxy-2,2-dimethyl-1-nicotinoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C25H22N2O6S3 MolecularWeight: 542.64698

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CN=CC=C4)C=CC(=C3)OC)C

Isomeric SMILES

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CN=CC=C4)C=CC(=C3)OC)C

InChI

InChI=1S/C25H22N2O6S3/c1-25(2)20(34)17(24-35-18(22(29)32-4)19(36-24)23(30)33-5)15-11-14(31-3)8-9-16(15)27(25)21(28)13-7-6-10-26-12-13/h6-12H,1-5H3