ethyl 4-[3-(dimethylcarbamoylsulfanyl)-6-ethanoyl-2-propyl-phenoxy]butanoate

Systemtic Name: ethyl 4-[3-(dimethylcarbamoylsulfanyl)-6-ethanoyl-2-propyl-phenoxy]butanoate Openeye Name: ethyl 4-[6-acetyl-3-(dimethylcarbamoylsulfanyl)-2-propyl-phenoxy]butanoate CAS Name: 4-[6-acetyl-3-[[dimethylamino(oxo)methyl]thio]-2-propylphenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[6-acetyl-3-(dimethylcarbamoylsulfanyl)-2-propylphenoxy]butanoate Traditional Name: 4-[6-acetyl-3-(dimethylcarbamoylthio)-2-propyl-phenoxy]butyric acid ethyl ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCC(=O)OCC)C(=O)C)SC(=O)N(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCC(=O)OCC)C(=O)C)SC(=O)N(C)C

InChI

InChI=1S/C20H29NO5S/c1-6-9-16-17(27-20(24)21(4)5)12-11-15(14(3)22)19(16)26-13-8-10-18(23)25-7-2/h11-12H,6-10,13H2,1-5H3