diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-methoxy-2,2-dimethyl-1-(1-oxopentyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(6-methoxy-2,2-dimethyl-3-thioxo-1-valeryl-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:

CCCCC(=O)N1C2=C(C=C(C=C2)OC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C

Isomeric SMILES

CCCCC(=O)N1C2=C(C=C(C=C2)OC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C

InChI

InChI=1S/C26H31NO6S3/c1-7-10-11-18(28)27-17-13-12-15(31-6)14-16(17)19(22(34)26(27,4)5)25-35-20(23(29)32-8-2)21(36-25)24(30)33-9-3/h12-14H,7-11H2,1-6H3