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A1EFK

Summary
Name:2-[(4~{E})-4-[(~{E})-3-(3-methyl-1,3-benzothiazol-2-yl)prop-2-enylidene]quinolin-1-yl]ethanol
Formula:C22 H21 N2 O S
Formal charge:0
Formula weight:361.48 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[(4~{E})-4-[(~{E})-3-(3-methyl-1,3-benzothiazol-2-yl)prop-2-enylidene]quinolin-1-yl]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H21N2OS/c1-23-20-10-4-5-11-21(20)26-22(23)12-6-7-17-13-14-24(15-16-25)19-9-3-2-8-18(17)19/h2-14,25H,15-16H2,1H3/b12-6+,17-7+
InChIKeyInChI1.06PJCOGOQQSAYMCD-MVMFNSJQSA-N
SMILES_CANONICALCACTVS3.385C[n]1c(sc2ccccc12)\C=C\C=C3/C=CN(CCO)c4ccccc34
SMILESCACTVS3.385C[n]1c(sc2ccccc12)C=CC=C3C=CN(CCO)c4ccccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7C[N]1=C(Sc2c1cccc2)/C=C/C=C/3\C=CN(c4c3cccc4)CCO
SMILESOpenEye OEToolkits2.0.7C[N]1=C(Sc2c1cccc2)C=CC=C3C=CN(c4c3cccc4)CCO

248335

PDB entries from 2026-01-28

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