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

Systemtic Name: ethyl 2-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(1-benzylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-benzylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-benzylimidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-2-27-20(26)17-10-6-7-11-18(17)23-19(25)15-28-21-22-12-13-24(21)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,23,25)