methyl 3-imidazol-1-yl-3-phenylsulfanyl-propanoate

Systemtic Name: methyl 3-imidazol-1-yl-3-phenylsulfanyl-propanoate Openeye Name: methyl 3-imidazol-1-yl-3-phenylsulfanyl-propanoate CAS Name: 3-(1-imidazolyl)-3-(phenylthio)propanoic acid methyl ester IUPAC Name: methyl 3-imidazol-1-yl-3-phenylsulfanylpropanoate Traditional Name: 3-imidazol-1-yl-3-(phenylthio)propionic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S/c1-17-13(16)9-12(15-8-7-14-10-15)18-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3