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3G8

Summary
Name:7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one
Formula:C18 H17 N O3 S
Formal charge:0
Formula weight:327.397 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one
OpenEye OEToolkits1.9.27-(diethylamino)-3-thiophen-2-ylcarbonyl-chromen-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C=1C(=O)Oc2cc(N(CC)CC)ccc2C=1)c3sccc3
InChIInChI1.03InChI=1S/C18H17NO3S/c1-3-19(4-2)13-8-7-12-10-14(18(21)22-15(12)11-13)17(20)16-6-5-9-23-16/h5-11H,3-4H2,1-2H3
InChIKeyInChI1.03HSYRYXPRQYPBBQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(CC)c1ccc2C=C(C(=O)Oc2c1)C(=O)c3sccc3
SMILESCACTVS3.385CCN(CC)c1ccc2C=C(C(=O)Oc2c1)C(=O)c3sccc3
SMILES_CANONICALOpenEye OEToolkits1.9.2CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3
SMILESOpenEye OEToolkits1.9.2CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3

246905

PDB entries from 2025-12-31

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