methyl 2-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S/c1-23-17(14-8-4-3-5-9-14)12-21-20(23)27-13-18(24)22-16-11-7-6-10-15(16)19(25)26-2/h3-12H,13H2,1-2H3,(H,22,24)