T7J
Summary
Name: | N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide |
Formula: | C13 H15 N O3 S |
Formal charge: | 0 |
Formula weight: | 265.328 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{R})-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-~{N}-(4-methylphenyl)ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/m1/s1 |
InChIKey | InChI | 1.03 | PPKLPLWDJXRWSL-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N([C@H]1C[S](=O)(=O)C=C1)c2ccc(C)cc2 |
SMILES | CACTVS | 3.385 | CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccc(C)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)N([C@H]2CS(=O)(=O)C=C2)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)N(C2CS(=O)(=O)C=C2)C(=O)C |