dimethyl 2-(1-butanoyl-7-methoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(1-butanoyl-7-methoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(1-butanoyl-7-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[7-methoxy-2,2-dimethyl-1-(1-oxobutyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(1-butanoyl-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-butyryl-7-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C23H25NO6S3 MolecularWeight: 507.6427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6S3/c1-7-8-15(25)24-14-11-12(28-4)9-10-13(14)16(19(31)23(24,2)3)22-32-17(20(26)29-5)18(33-22)21(27)30-6/h9-11H,7-8H2,1-6H3