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

Systemtic Name: diethyl 2-[2,2,6-trimethyl-1-(2-phenylethanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[2,2,6-trimethyl-1-(2-phenylacetyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,6-trimethyl-1-(1-oxo-2-phenylethyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2,2,6-trimethyl-1-(2-phenylacetyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2,2,6-trimethyl-1-(2-phenylacetyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C29H29NO5S3 MolecularWeight: 567.73926

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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)CC4=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)CC4=CC=CC=C4)S1)C(=O)OCC

InChI

InChI=1S/C29H29NO5S3/c1-6-34-26(32)23-24(27(33)35-7-2)38-28(37-23)22-19-15-17(3)13-14-20(19)30(29(4,5)25(22)36)21(31)16-18-11-9-8-10-12-18/h8-15H,6-7,16H2,1-5H3