T7P

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Summary

Name:N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide
Formula:C12 H12 F N O3 S
Formal charge:0
Molecular weight:269.292 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide
OpenEye OEToolkits2.0.7~{N}-[(3~{R})-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-~{N}-(4-fluorophenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(C=CS(C1)(=O)=O)N(C(C)=O)c2ccc(F)cc2
InChIInChI1.03InChI=1S/C12H12FNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-7,12H,8H2,1H3/t12-/m1/s1
InChIKeyInChI1.03ZNQRDHIQBZKZBG-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N([C@H]1C[S](=O)(=O)C=C1)c2ccc(F)cc2
SMILESCACTVS3.385CC(=O)N([CH]1C[S](=O)(=O)C=C1)c2ccc(F)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N(c1ccc(cc1)F)[C@H]2CS(=O)(=O)C=C2
SMILESOpenEye OEToolkits2.0.7CC(=O)N(c1ccc(cc1)F)C2CS(=O)(=O)C=C2
170172
PDB entries from 2020-10-21