diethyl 2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-(2,2,7-trimethyl-3-thioxo-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2,2,7-trimethyl-3-thioxo-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C21H23NO4S3 MolecularWeight: 449.60662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)NC(C2=S)(C)C)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)NC(C2=S)(C)C)S1)C(=O)OCC

InChI

InChI=1S/C21H23NO4S3/c1-6-25-18(23)15-16(19(24)26-7-2)29-20(28-15)14-12-9-8-11(3)10-13(12)22-21(4,5)17(14)27/h8-10,22H,6-7H2,1-5H3