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

Systemtic Name: diethyl 2-[2,2,6-trimethyl-1-(4-methylphenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[2,2,6-trimethyl-1-(4-methylbenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,6-trimethyl-1-[(4-methylphenyl)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2,2,6-trimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2,2,6-trimethyl-1-p-toluoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C29H29NO5S3 MolecularWeight: 567.73926

Click to see the large picture

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

InChI

InChI=1S/C29H29NO5S3/c1-7-34-26(32)22-23(27(33)35-8-2)38-28(37-22)21-19-15-17(4)11-14-20(19)30(29(5,6)24(21)36)25(31)18-12-9-16(3)10-13-18/h9-15H,7-8H2,1-6H3