diethyl 2-[7-ethoxy-2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-[7-ethoxy-2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[7-ethoxy-2,2-dimethyl-1-(2-methylpropanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[7-ethoxy-2,2-dimethyl-1-(2-methyl-1-oxopropyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[7-ethoxy-2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(7-ethoxy-1-isobutyryl-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C26H31NO6S3 MolecularWeight: 549.72244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C(N2C(=O)C(C)C)(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C(N2C(=O)C(C)C)(C)C

InChI

InChI=1S/C26H31NO6S3/c1-8-31-15-11-12-16-17(13-15)27(22(28)14(4)5)26(6,7)21(34)18(16)25-35-19(23(29)32-9-2)20(36-25)24(30)33-10-3/h11-14H,8-10H2,1-7H3