methyl 2-[2-(2,2-dimethyl-5-phenyl-imidazol-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(2,2-dimethyl-5-phenyl-imidazol-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(2,2-dimethyl-5-phenyl-imidazol-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(2,2-dimethyl-5-phenyl-4-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(2,2-dimethyl-5-phenyl-imidazol-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C(=N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1(N=C(C(=N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=CC=C3)C

InChI

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