(2R)-2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylbutanoate

Systemtic Name: (2R)-2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylbutanoate Openeye Name: (2R)-2-[4-(hydroxymethyl)-1-(p-tolylmethyl)imidazol-2-yl]sulfanylbutanoate CAS Name: (2R)-2-[[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]butanoate IUPAC Name: (2R)-2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylbutanoate Traditional Name: (2R)-2-[[1-(4-methylbenzyl)-4-methylol-imidazol-2-yl]thio]butyrate Formula: C16H19N2O3S- MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC(=CN1CC2=CC=C(C=C2)C)CO

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC(=CN1CC2=CC=C(C=C2)C)CO

InChI

InChI=1S/C16H20N2O3S/c1-3-14(15(20)21)22-16-17-13(10-19)9-18(16)8-12-6-4-11(2)5-7-12/h4-7,9,14,19H,3,8,10H2,1-2H3,(H,20,21)/p-1/t14-/m1/s1