methyl 3-imidazol-1-yl-3-phenylsulfanyl-butanoate

Systemtic Name: methyl 3-imidazol-1-yl-3-phenylsulfanyl-butanoate Openeye Name: methyl 3-imidazol-1-yl-3-phenylsulfanyl-butanoate CAS Name: 3-(1-imidazolyl)-3-(phenylthio)butanoic acid methyl ester IUPAC Name: methyl 3-imidazol-1-yl-3-phenylsulfanylbutanoate Traditional Name: 3-imidazol-1-yl-3-(phenylthio)butyric acid methyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)(N1C=CN=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OC)(N1C=CN=C1)SC2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2S/c1-14(10-13(17)18-2,16-9-8-15-11-16)19-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3