AC1MDDYE
tetraethyl 8'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: BAS 00225082|AG-690/34160020|tetraethyl 8'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate|2,3,4',5'-tetrakis(ethoxycarbonyl)-8-methoxy-5,5-dimethyl-5,6-dihydrospiro(1H-thiopyrano[2,3-c]quinoline-1,2'-[1',3']-dithiole)|tetraethyl 8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate|tetraethyl 8'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
| Molecular Formula | C29H33NO9S3 |
|---|---|
| Molecular Weight | 635.1318 g/mol |
| LogP | 5.2516 |
| Topological Polar Surface Area | 126.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 635.1318 |
| Monoisotopic Mass | 635.1318 |
| Heavy Atoms | 42 |
| Complexity | 1397.0195 |
Chemical Identifiers
| CAS Number | 307329-29-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=C(C=C4)OC)NC2(C)C)C(=O)OCC |
Product Overview
AC1MDDYE (CAS 307329-29-9), with molecular formula C29H33NO9S3 and molecular weight 635.1318 g/mol. IUPAC: tetraethyl 8'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
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