Chemical Components in the PDB

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FF2 : Summary

Code

FF2

One-letter code

X

Molecule name

4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide

Formula

C9 H6 Cl N O2 S

Formal charge

0

Molecular weight

227.667 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ONC(=O)c1sc2cccc(Cl)c2c1
SMILES OpenEye OEToolkits 2.0.6 c1cc2c(cc(s2)C(=O)NO)c(c1)Cl
Canonical SMILES CACTVS 3.385 ONC(=O)c1sc2cccc(Cl)c2c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc2c(cc(s2)C(=O)NO)c(c1)Cl

IUPAC InChI

InChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12)

IUPAC InChI key

IHGVZTXLHUWVIA-UHFFFAOYSA-N
FF2

wwPDB Information

Atom count

20 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-06-26

Last modified at

2018-08-10

Status

Released

Obsoleted

Not Assigned