Chemical Components in the PDB

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2Q0 : Summary

Code

2Q0

One-letter code

X

Molecule name

(5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula

C14 H15 N O2 S2

Formal charge

0

Molecular weight

293.404 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)CN1C(=S)SC(=Cc2ccc(O)cc2)C1=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)CN1C(=O)C(=Cc2ccc(cc2)O)SC1=S
Canonical SMILES CACTVS 3.385 CC(C)CN1C(=S)SC(=C/c2ccc(O)cc2)\C1=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S

IUPAC InChI

InChI=1S/C14H15NO2S2/c1-9(2)8-15-13(17)12(19-14(15)18)7-10-3-5-11(16)6-4-10/h3-7,9,16H,8H2,1-2H3/b12-7-

IUPAC InChI key

GPURHDUTZUYAFI-GHXNOFRVSA-N
2Q0

wwPDB Information

Atom count

34 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-12-29

Last modified at

2020-02-12

Status

Released

Obsoleted

Not Assigned