methyl 4-[[1-cyclopropyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-cyclopropyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-cyclopropyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-cyclopropyl-5-(hydroxymethyl)-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-cyclopropyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(1-cyclopropyl-5-methylol-imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(N2C3CC3)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(N2C3CC3)CO

InChI

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