phenyl 6-(1-methylimidazol-2-yl)sulfanyl-5-oxidanylidene-hexanoate

Systemtic Name: phenyl 6-(1-methylimidazol-2-yl)sulfanyl-5-oxidanylidene-hexanoate Openeye Name: phenyl 6-(1-methylimidazol-2-yl)sulfanyl-5-oxo-hexanoate CAS Name: 6-[(1-methyl-2-imidazolyl)thio]-5-oxohexanoic acid phenyl ester IUPAC Name: phenyl 6-(1-methylimidazol-2-yl)sulfanyl-5-oxohexanoate Traditional Name: 5-keto-6-[(1-methylimidazol-2-yl)thio]hexanoic acid phenyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)CCCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CN1C=CN=C1SCC(=O)CCCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-18-11-10-17-16(18)22-12-13(19)6-5-9-15(20)21-14-7-3-2-4-8-14/h2-4,7-8,10-11H,5-6,9,12H2,1H3