U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H20N2O3S
Molecular Weight 296.385
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-[[(aminoiminomethyl)thio]methyl]-4-propoxybenzeneacetate

SMILES

CCCOC1=C(CSC(N)=N)C=C(CC(=O)OC)C=C1

InChI

InChIKey=YEQUHFBSERPHCP-UHFFFAOYSA-N
InChI=1S/C14H20N2O3S/c1-3-6-19-12-5-4-10(8-13(17)18-2)7-11(12)9-20-14(15)16/h4-5,7H,3,6,8-9H2,1-2H3,(H3,15,16)

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl 3-[[(aminoiminomethyl)thio]methyl]-4-propoxybenzeneacetate
Systematic Name English
Benzeneacetic acid, 3-[[(aminoiminomethyl)thio]methyl]-4-propoxy-, methyl ester
Common Name English
Code System Code Type Description
FDA UNII
9W3AD55HSE
Created by admin on Sat Dec 16 19:54:24 GMT 2023 , Edited by admin on Sat Dec 16 19:54:24 GMT 2023
PRIMARY
CAS
761340-77-6
Created by admin on Sat Dec 16 19:54:24 GMT 2023 , Edited by admin on Sat Dec 16 19:54:24 GMT 2023
PRIMARY
PUBCHEM
39108
Created by admin on Sat Dec 16 19:54:24 GMT 2023 , Edited by admin on Sat Dec 16 19:54:24 GMT 2023
PRIMARY