AC1MDNLW
dimethyl 2-(6-ethoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: dimethyl 2-(6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|BAS 00108007|SR-01000493231-1|4,5-dimethyl 2-(6-ethoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(6-ethoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate|1,3-dithiole-4,5-dicarboxylic acid, 2-(6-ethoxy-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene)-, dimethyl ester|dimethyl 2-(6-ethoxy-2,2-dimethyl-3-thioxo-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl2-(6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|methyl 2-(6-ethoxy-2,2-dimethyl-3-thioxo(4-1,2-dihydroquinolylidene))-5-(metho xycarbonyl)-1,3-dithiolene-4-carboxylate
| Molecular Formula | C20H21NO5S3 |
|---|---|
| Molecular Weight | 451.0582 g/mol |
| LogP | 4.3655 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.0582 |
| Monoisotopic Mass | 451.0582 |
| Heavy Atoms | 29 |
| Complexity | 934.8634 |
Chemical Identifiers
| CAS Number | 296272-53-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C |
Product Overview
AC1MDNLW (CAS 296272-53-2), with molecular formula C20H21NO5S3 and molecular weight 451.0582 g/mol. IUPAC: dimethyl 2-(6-ethoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
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