ethyl 4-[5-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[5-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylbutanoate CAS Name: 4-[[5-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylbutanoate Traditional Name: 4-[(1-benzyl-5-methylol-imidazol-2-yl)thio]butyric acid ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC=C(N1CC2=CC=CC=C2)CO

Isomeric SMILES

CCOC(=O)CCCSC1=NC=C(N1CC2=CC=CC=C2)CO

InChI

InChI=1S/C17H22N2O3S/c1-2-22-16(21)9-6-10-23-17-18-11-15(13-20)19(17)12-14-7-4-3-5-8-14/h3-5,7-8,11,20H,2,6,9-10,12-13H2,1H3