diethyl 2-(7-ethoxy-1-hexanoyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-(7-ethoxy-1-hexanoyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-(7-ethoxy-1-hexanoyl-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[7-ethoxy-2,2-dimethyl-1-(1-oxohexyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(7-ethoxy-1-hexanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-caproyl-7-ethoxy-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C28H35NO6S3 MolecularWeight: 577.7756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO6S3/c1-7-11-12-13-20(30)29-19-16-17(33-8-2)14-15-18(19)21(24(36)28(29,5)6)27-37-22(25(31)34-9-3)23(38-27)26(32)35-10-4/h14-16H,7-13H2,1-6H3