Chemical Components in the PDB

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Z20 : Summary

Code

Z20

One-letter code

X

Molecule name

(2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one

Systematic names

ProgramVersionName
ACDLabs 12.01 (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one
OpenEye OEToolkits 1.7.6 (2Z,5Z)-2-(2-chlorophenyl)imino-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one

Formula

C16 H10 Cl N3 O4 S

Formal charge

0

Molecular weight

375.786 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 [O-][N+](=O)c1c(O)ccc(c1)\C=C3/S/C(=N\c2c(Cl)cccc2)NC3=O
SMILES CACTVS 3.370 Oc1ccc(C=C2SC(NC2=O)=Nc3ccccc3Cl)cc1[N+]([O-])=O
SMILES OpenEye OEToolkits 1.7.6 c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)[N+](=O)[O-])O)S2)Cl
Canonical SMILES CACTVS 3.370 Oc1ccc(\C=C\2SC(NC\2=O)=Nc3ccccc3Cl)cc1[N+]([O-])=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(c(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3)[N+](=O)[O-])O)/S2)Cl

IUPAC InChI

InChI=1S/C16H10ClN3O4S/c17-10-3-1-2-4-11(10)18-16-19-15(22)14(25-16)8-9-5-6-13(21)12(7-9)20(23)24/h1-8,21H,(H,18,19,22)/b14-8-

IUPAC InChI key

SHXHWOPEFBMMKJ-ZSOIEALJSA-N
Z20

wwPDB Information

Atom count

35 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-04-27

Last modified at

2012-08-03

Status

Released

Obsoleted

Not Assigned