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

Systemtic Name: ethyl 2-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[1-(o-tolyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[1-(2-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[1-(o-tolyl)imidazol-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=CN2C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=CN2C3=CC=CC=C3C

InChI

InChI=1S/C21H21N3O3S/c1-3-27-20(26)16-9-5-6-10-17(16)23-19(25)14-28-21-22-12-13-24(21)18-11-7-4-8-15(18)2/h4-13H,3,14H2,1-2H3,(H,23,25)