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

Systemtic Name: diethyl 2-[2,2,6-trimethyl-1-(4-nitrophenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[2,2,6-trimethyl-1-(4-nitrobenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,6-trimethyl-1-[(4-nitrophenyl)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2,2,6-trimethyl-1-(4-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2,2,6-trimethyl-1-(4-nitrobenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C28H26N2O7S3 MolecularWeight: 598.71024

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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)[N+](=O)[O-])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)[N+](=O)[O-])S1)C(=O)OCC

InChI

InChI=1S/C28H26N2O7S3/c1-6-36-25(32)21-22(26(33)37-7-2)40-27(39-21)20-18-14-15(3)8-13-19(18)29(28(4,5)23(20)38)24(31)16-9-11-17(12-10-16)30(34)35/h8-14H,6-7H2,1-5H3