[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=CN2C

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C20H26N4O4S/c1-13(17(26)23-20(2,3)4)28-18(27)14-8-6-7-9-15(14)22-16(25)12-29-19-21-10-11-24(19)5/h6-11,13H,12H2,1-5H3,(H,22,25)(H,23,26)/t13-/m1/s1