[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-9-13(10(2)22-18-9)8-23-14-7-5-4-6-12(14)16(20)21-11(3)15(17)19/h4-7,11H,8H2,1-3H3,(H2,17,19)/t11-/m1/s1