diethyl 2-(2,2-dimethyl-1-naphthalen-2-ylcarbonyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-(2,2-dimethyl-1-naphthalen-2-ylcarbonyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[2,2-dimethyl-1-(naphthalene-2-carbonyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2-dimethyl-1-[2-naphthalenyl(oxo)methyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2,2-dimethyl-1-(naphthalene-2-carbonyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2,2-dimethyl-1-(2-naphthoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C31H27NO5S3 MolecularWeight: 589.74478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C4=CC5=CC=CC=C5C=C4)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C4=CC5=CC=CC=C5C=C4)S1)C(=O)OCC

InChI

InChI=1S/C31H27NO5S3/c1-5-36-28(34)24-25(29(35)37-6-2)40-30(39-24)23-21-13-9-10-14-22(21)32(31(3,4)26(23)38)27(33)20-16-15-18-11-7-8-12-19(18)17-20/h7-17H,5-6H2,1-4H3