diethyl 2-[2,2,6-trimethyl-1-(phenylcarbonyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-[2,2,6-trimethyl-1-(phenylcarbonyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-(1-benzoyl-2,2,6-trimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(1-benzoyl-2,2,6-trimethyl-3-sulfanylidene-4-quinolinylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(1-benzoyl-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-benzoyl-2,2,6-trimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C28H27NO5S3 MolecularWeight: 553.71268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4)S1)C(=O)OCC

InChI

InChI=1S/C28H27NO5S3/c1-6-33-25(31)21-22(26(32)34-7-2)37-27(36-21)20-18-15-16(3)13-14-19(18)29(28(4,5)23(20)35)24(30)17-11-9-8-10-12-17/h8-15H,6-7H2,1-5H3