diethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-ethoxy-2,2-dimethyl-1-(1-oxopentyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(6-ethoxy-2,2-dimethyl-3-thioxo-1-valeryl-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C27H33NO6S3 MolecularWeight: 563.74902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C

Isomeric SMILES

CCCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C

InChI

InChI=1S/C27H33NO6S3/c1-7-11-12-19(29)28-18-14-13-16(32-8-2)15-17(18)20(23(35)27(28,5)6)26-36-21(24(30)33-9-3)22(37-26)25(31)34-10-4/h13-15H,7-12H2,1-6H3