[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [(1R)-2-(allylamino)-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-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-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-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S/c1-4-9-20-17(25)13(2)27-18(26)14-7-5-6-8-15(14)22-16(24)12-28-19-21-10-11-23(19)3/h4-8,10-11,13H,1,9,12H2,2-3H3,(H,20,25)(H,22,24)/t13-/m1/s1