CF8

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Summary

Name:(~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid
Formula:C20 H16 O2 S
Formal charge:0
Molecular weight:320.405 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H16O2S/c21-20(22)19(23)13-18-8-4-3-7-17(18)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,13,23H,12H2,(H,21,22)/b19-13-
InChIKeyInChI1.03LALSQKFPBIDRFB-UYRXBGFRSA-N
SMILES_CANONICALCACTVS3.385OC(=O)/C(S)=C/c1ccccc1Cc2ccc3ccccc3c2
SMILESCACTVS3.385OC(=O)C(S)=Cc1ccccc1Cc2ccc3ccccc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2cc(ccc2c1)Cc3ccccc3/C=C(/C(=O)O)\S
SMILESOpenEye OEToolkits2.0.6c1ccc2cc(ccc2c1)Cc3ccccc3C=C(C(=O)O)S
167327
PDB entries from 2020-08-05