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

Systemtic Name: diethyl 2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-(2,2-dimethyl-3-thioxo-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2,2-dimethyl-3-thioxo-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C20H21NO4S3 MolecularWeight: 435.58004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3NC(C2=S)(C)C)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3NC(C2=S)(C)C)S1)C(=O)OCC

InChI

InChI=1S/C20H21NO4S3/c1-5-24-17(22)14-15(18(23)25-6-2)28-19(27-14)13-11-9-7-8-10-12(11)21-20(3,4)16(13)26/h7-10,21H,5-6H2,1-4H3