methyl 3-[1-(phenylmethyl)imidazol-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-(phenylmethyl)imidazol-2-yl]sulfanylpropanoate Openeye Name: methyl 3-(1-benzylimidazol-2-yl)sulfanylpropanoate CAS Name: 3-[[1-(phenylmethyl)-2-imidazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(1-benzylimidazol-2-yl)sulfanylpropanoate Traditional Name: 3-[(1-benzylimidazol-2-yl)thio]propionic acid methyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC=CN1CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSC1=NC=CN1CC2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2S/c1-18-13(17)7-10-19-14-15-8-9-16(14)11-12-5-3-2-4-6-12/h2-6,8-9H,7,10-11H2,1H3