dimethyl 2-[2,2-dimethyl-1-(2-propylpentanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[2,2-dimethyl-1-(2-propylpentanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2-dimethyl-1-(1-oxo-2-propylpentyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2,2-dimethyl-1-(2-propylpentanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C26H31NO5S3 MolecularWeight: 533.72304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C

Isomeric SMILES

CCCC(CCC)C(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C

InChI

InChI=1S/C26H31NO5S3/c1-7-11-15(12-8-2)22(28)27-17-14-10-9-13-16(17)18(21(33)26(27,3)4)25-34-19(23(29)31-5)20(35-25)24(30)32-6/h9-10,13-15H,7-8,11-12H2,1-6H3