diethyl 2-[1-ethyl-2,2-dimethyl-3-sulfanylidene-6-(triphenylmethyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-[1-ethyl-2,2-dimethyl-3-sulfanylidene-6-(triphenylmethyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-(1-ethyl-2,2-dimethyl-3-thioxo-6-trityl-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-ethyl-2,2-dimethyl-3-sulfanylidene-6-(triphenylmethyl)-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(1-ethyl-2,2-dimethyl-3-sulfanylidene-6-tritylquinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-ethyl-2,2-dimethyl-3-thioxo-6-trityl-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C41H39NO4S3 MolecularWeight: 705.94766

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=C6SC(=C(S6)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=C6SC(=C(S6)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C

InChI

InChI=1S/C41H39NO4S3/c1-6-42-32-25-24-30(41(27-18-12-9-13-19-27,28-20-14-10-15-21-28)29-22-16-11-17-23-29)26-31(32)33(36(47)40(42,4)5)39-48-34(37(43)45-7-2)35(49-39)38(44)46-8-3/h9-26H,6-8H2,1-5H3