(phenylmethyl) 6-(1-ethylimidazol-2-yl)sulfanyl-5-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 6-(1-ethylimidazol-2-yl)sulfanyl-5-oxidanylidene-hexanoate Openeye Name: benzyl 6-(1-ethylimidazol-2-yl)sulfanyl-5-oxo-hexanoate CAS Name: 6-[(1-ethyl-2-imidazolyl)thio]-5-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(1-ethylimidazol-2-yl)sulfanyl-5-oxohexanoate Traditional Name: 6-[(1-ethylimidazol-2-yl)thio]-5-keto-hexanoic acid benzyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1SCC(=O)CCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCN1C=CN=C1SCC(=O)CCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S/c1-2-20-12-11-19-18(20)24-14-16(21)9-6-10-17(22)23-13-15-7-4-3-5-8-15/h3-5,7-8,11-12H,2,6,9-10,13-14H2,1H3