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A1CHV

Summary
Name:3-(1-benzothiophen-2-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
Formula:C19 H19 N O3 S
Formal charge:0
Formula weight:341.424 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-(1-benzothiophen-2-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
OpenEye OEToolkits3.1.0.03-(1-benzothiophen-2-yl)-~{N}-[(3-methoxy-4-oxidanyl-phenyl)methyl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Oc1ccc(cc1OC)CNC(=O)CCc1cc2ccccc2s1
InChIInChI1.06InChI=1S/C19H19NO3S/c1-23-17-10-13(6-8-16(17)21)12-20-19(22)9-7-15-11-14-4-2-3-5-18(14)24-15/h2-6,8,10-11,21H,7,9,12H2,1H3,(H,20,22)
InChIKeyInChI1.06OIJQHFKDHVSQTJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(CNC(=O)CCc2sc3ccccc3c2)ccc1O
SMILESCACTVS3.385COc1cc(CNC(=O)CCc2sc3ccccc3c2)ccc1O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1cc(ccc1O)CNC(=O)CCc2cc3ccccc3s2
SMILESOpenEye OEToolkits3.1.0.0COc1cc(ccc1O)CNC(=O)CCc2cc3ccccc3s2

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PDB entries from 2026-07-22

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