[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid [(1R)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OC(C)C(=O)NC(=O)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)O[C@H](C)C(=O)NC(=O)N)C

InChI

InChI=1S/C18H20N4O4S/c1-10-8-11(2)21-18(20-10)27-9-13-6-4-5-7-14(13)16(24)26-12(3)15(23)22-17(19)25/h4-8,12H,9H2,1-3H3,(H3,19,22,23,25)/t12-/m1/s1