[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)O[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C18H21N3O5S/c1-10(2)15(16(22)20-18(19)24)25-17(23)13-6-4-5-7-14(13)27-9-12-8-11(3)26-21-12/h4-8,10,15H,9H2,1-3H3,(H3,19,20,22,24)/t15-/m1/s1