ethyl 2-[2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO

InChI

InChI=1S/C22H23N3O4S/c1-2-29-21(28)18-10-6-7-11-19(18)24-20(27)15-30-22-23-17(14-26)13-25(22)12-16-8-4-3-5-9-16/h3-11,13,26H,2,12,14-15H2,1H3,(H,24,27)