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

Systemtic Name: dimethyl 2-[2,2-dimethyl-1-(4-methylphenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[2,2-dimethyl-1-(4-methylbenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2-dimethyl-1-[(4-methylphenyl)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2,2-dimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2,2-dimethyl-1-p-toluoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C26H23NO5S3 MolecularWeight: 525.65952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C

InChI

InChI=1S/C26H23NO5S3/c1-14-10-12-15(13-11-14)22(28)27-17-9-7-6-8-16(17)18(21(33)26(27,2)3)25-34-19(23(29)31-4)20(35-25)24(30)32-5/h6-13H,1-5H3