methyl 4-methyl-3-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=C(N2C)C3=CC=CC=C3

InChI

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