[2-(acetyloxymethyl)-3-butylsulfanyl-imidazol-4-yl]methyl ethanoate

Systemtic Name: [2-(acetyloxymethyl)-3-butylsulfanyl-imidazol-4-yl]methyl ethanoate Openeye Name: [2-(acetoxymethyl)-3-butylsulfanyl-imidazol-4-yl]methyl acetate CAS Name: acetic acid [2-(acetyloxymethyl)-3-(butylthio)-4-imidazolyl]methyl ester IUPAC Name: [2-(acetyloxymethyl)-3-butylsulfanylimidazol-4-yl]methyl acetate Traditional Name: acetic acid [2-(acetoxymethyl)-3-(butylthio)imidazol-4-yl]methyl ester Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSN1C(=CN=C1COC(=O)C)COC(=O)C

Isomeric SMILES

CCCCSN1C(=CN=C1COC(=O)C)COC(=O)C

InChI

InChI=1S/C13H20N2O4S/c1-4-5-6-20-15-12(8-18-10(2)16)7-14-13(15)9-19-11(3)17/h7H,4-6,8-9H2,1-3H3