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

Systemtic Name: diethyl 2-[2,2-dimethyl-1-(2-phenylethanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[2,2-dimethyl-1-(2-phenylacetyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2-dimethyl-1-(1-oxo-2-phenylethyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2,2-dimethyl-1-(2-phenylacetyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2,2-dimethyl-1-(2-phenylacetyl)-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=CC=CC=C3N(C(C2=S)(C)C)C(=O)CC4=CC=CC=C4)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)CC4=CC=CC=C4)S1)C(=O)OCC

InChI

InChI=1S/C28H27NO5S3/c1-5-33-25(31)22-23(26(32)34-6-2)37-27(36-22)21-18-14-10-11-15-19(18)29(28(3,4)24(21)35)20(30)16-17-12-8-7-9-13-17/h7-15H,5-6,16H2,1-4H3