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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [(1R)-2-amino-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-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-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-amino-2-keto-1-methyl-ethyl] ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4S/c1-10(14(17)22)24-15(23)11-5-3-4-6-12(11)19-13(21)9-25-16-18-7-8-20(16)2/h3-8,10H,9H2,1-2H3,(H2,17,22)(H,19,21)/t10-/m1/s1