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

Systemtic Name: dimethyl 2-[2,2,6-trimethyl-1-(4-methylphenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C27H25NO5S3 MolecularWeight: 539.6861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)C)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)C)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C

InChI

InChI=1S/C27H25NO5S3/c1-14-7-10-16(11-8-14)23(29)28-18-12-9-15(2)13-17(18)19(22(34)27(28,3)4)26-35-20(24(30)32-5)21(36-26)25(31)33-6/h7-13H,1-6H3