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

Systemtic Name: dimethyl 2-[6-bromanyl-2,2-dimethyl-1-(2-methylphenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[6-bromo-2,2-dimethyl-1-(2-methylbenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-bromo-2,2-dimethyl-1-[(2-methylphenyl)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[6-bromo-2,2-dimethyl-1-(2-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(6-bromo-2,2-dimethyl-1-o-toluoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C26H22BrNO5S3 MolecularWeight: 604.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C3=C(C=C(C=C3)Br)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C3=C(C=C(C=C3)Br)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C

InChI

InChI=1S/C26H22BrNO5S3/c1-13-8-6-7-9-15(13)22(29)28-17-11-10-14(27)12-16(17)18(21(34)26(28,2)3)25-35-19(23(30)32-4)20(36-25)24(31)33-5/h6-12H,1-5H3