dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(4-methylphenyl)sulfonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(4-methylphenyl)sulfonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(p-tolylsulfonyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-ethoxy-2,2-dimethyl-1-(4-methylphenyl)sulfonyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(4-methylphenyl)sulfonyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(6-ethoxy-2,2-dimethyl-3-thioxo-1-tosyl-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C27H27NO7S4 MolecularWeight: 605.76578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H27NO7S4/c1-7-35-16-10-13-19-18(14-16)20(26-37-21(24(29)33-5)22(38-26)25(30)34-6)23(36)27(3,4)28(19)39(31,32)17-11-8-15(2)9-12-17/h8-14H,7H2,1-6H3