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

Systemtic Name: ethyl 4-[2-[5-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[5-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-benzyl-5-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=C(C=C1)NC(=O)CSC2=NC=C(N2CC3=CC=CC=C3)CO

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2CC3=CC=CC=C3)CO

InChI

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