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Z5G

Summary
Name:2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Formula:C16 H14 Cl N O3 S
Formal charge:0
Formula weight:335.805 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
OpenEye OEToolkits2.0.72-[(4-chlorophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(=O)O
InChIInChI1.03InChI=1S/C16H14ClNO3S/c17-10-7-5-9(6-8-10)14(19)18-15-13(16(20)21)11-3-1-2-4-12(11)22-15/h5-8H,1-4H2,(H,18,19)(H,20,21)
InChIKeyInChI1.03DUJFDTGMUKWELI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1c2CCCCc2sc1NC(=O)c3ccc(Cl)cc3
SMILESCACTVS3.385OC(=O)c1c2CCCCc2sc1NC(=O)c3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl

222415

PDB entries from 2024-07-10

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