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

Systemtic Name: dimethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,6-trimethyl-1-(1-oxopentyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2,2,6-trimethyl-3-thioxo-1-valeryl-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C24H27NO5S3 MolecularWeight: 505.66988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5S3/c1-7-8-9-16(26)25-15-11-10-13(2)12-14(15)17(20(31)24(25,3)4)23-32-18(21(27)29-5)19(33-23)22(28)30-6/h10-12H,7-9H2,1-6H3