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Details

Stereochemistry ACHIRAL
Molecular Formula C16H16N2O8S4
Molecular Weight 492.567
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 5-((5-ETHOXYCARBONYL-4-METHYL-3-NITROTHIOPHEN-2-YL)DISULFANYL)-3-METHYL-4-NITROTHIOPHENE-2-CARBOXYLATE

SMILES

CCOC(=O)C1=C(C)C(=C(SSC2=C(C(C)=C(S2)C(=O)OCC)[N+]([O-])=O)S1)[N+]([O-])=O

InChI

InChIKey=KTAAYGLXGZVVEW-UHFFFAOYSA-N
InChI=1S/C16H16N2O8S4/c1-5-25-13(19)11-7(3)9(17(21)22)15(27-11)29-30-16-10(18(23)24)8(4)12(28-16)14(20)26-6-2/h5-6H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
ETHYL 5-((5-ETHOXYCARBONYL-4-METHYL-3-NITROTHIOPHEN-2-YL)DISULFANYL)-3-METHYL-4-NITROTHIOPHENE-2-CARBOXYLATE
Systematic Name English
NSC-314259
Preferred Name English
2-THIOPHENECARBOXYLIC ACID, 5,5'-DITHIOBIS(3-METHYL-4-NITRO-, DIETHYL ESTER
Systematic Name English
Code System Code Type Description
NSC
314259
Created by admin on Tue Apr 01 19:45:08 GMT 2025 , Edited by admin on Tue Apr 01 19:45:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID20225475
Created by admin on Tue Apr 01 19:45:08 GMT 2025 , Edited by admin on Tue Apr 01 19:45:08 GMT 2025
PRIMARY
CAS
74462-74-1
Created by admin on Tue Apr 01 19:45:08 GMT 2025 , Edited by admin on Tue Apr 01 19:45:08 GMT 2025
PRIMARY
PUBCHEM
329782
Created by admin on Tue Apr 01 19:45:08 GMT 2025 , Edited by admin on Tue Apr 01 19:45:08 GMT 2025
PRIMARY
FDA UNII
O58MIW1BBO
Created by admin on Tue Apr 01 19:45:08 GMT 2025 , Edited by admin on Tue Apr 01 19:45:08 GMT 2025
PRIMARY
NIH
NCATS
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