AC1MSN75
4-[[3-(3-chloro-4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid
Also Known As: 4-{[(2Z)-3-(3-chloro-4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid|(Z)-4-((3-(3-chloro-4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)amino)-4-oxobutanoic acid|4-[[3-(3-chloro-4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid
| Molecular Formula | C16H17ClN2O6S2 |
|---|---|
| Molecular Weight | 432.02167 g/mol |
| LogP | 1.8148 |
| Topological Polar Surface Area | 113.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.02167 |
| Monoisotopic Mass | 432.02167 |
| Heavy Atoms | 27 |
| Complexity | 917.4856 |
Chemical Identifiers
| CAS Number | 850191-72-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)CCC(=O)O)Cl |
Product Overview
AC1MSN75 (CAS 850191-72-9), with molecular formula C16H17ClN2O6S2 and molecular weight 432.02167 g/mol. IUPAC: 4-[[3-(3-chloro-4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-4-oxobutanoic acid.
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