dimethyl 2-[2,2,8-trimethyl-1-(4-methyl-3-nitro-phenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[2,2,8-trimethyl-1-(4-methyl-3-nitro-phenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[2,2,8-trimethyl-1-(4-methyl-3-nitro-benzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,8-trimethyl-1-[(4-methyl-3-nitrophenyl)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2,2,8-trimethyl-1-(4-methyl-3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2,2,8-trimethyl-1-(4-methyl-3-nitro-benzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C27H24N2O7S3 MolecularWeight: 584.68366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2C3=C(C=CC=C3C)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C3=C(C=CC=C3C)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O7S3/c1-13-10-11-15(12-17(13)29(33)34)23(30)28-19-14(2)8-7-9-16(19)18(22(37)27(28,3)4)26-38-20(24(31)35-5)21(39-26)25(32)36-6/h7-12H,1-6H3