Acetic acid, (2,6-dimethoxy-4-(4-morpholinylthioxomethyl)phenoxy)-, ethyl ester

HCID 51156

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 70733-93-6
Standard SMILES: CCOC(=O)COc1c(OC)cc(C(=S)N2CCOCC2)cc1OC
InChIKey: NPIWJYYJVKKKJV-UHFFFAOYSA-N
Molecular formula: C17H23NO6S
Average molar mass: 369.4 g/mol
Monoisotopic mass: 369.12460863

Names & identifiers

Preferred name: Acetic acid, (2,6-dimethoxy-4-(4-morpholinylthioxomethyl)phenoxy)-, ethyl ester
IUPAC: ethyl 2-[2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenoxy]acetate

Names & synonyms

BRN 0580513Acetic acid, (2,6-dimethoxy-4-(4-morpholinylthioxomethyl)phenoxy)-, ethyl ester70733-93-64-(3,5-Dimethoxy-4-ethoxycarbonylmethoxythiobenzoyl)morpholineDTXSID70221003Ethyl (2,6-dimethoxy-4-(4-morpholinylthioxomethyl)phenoxy)acetateACETIC ACID, (4-MORPHOLINOTHIOCARBONYL-2,6-DIMETHOXYPHENOXY)-, ETHYL ESTERRefChem:316124DTXCID30143494Ethyl [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenoxy]acetate

Database identifiers

CAS: 70733-93-6
PubChem CID: 51156
DTXSID: DTXSID70221003
Nikkaji: J86.254A

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 98.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 429

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…