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

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OC(C)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)O[C@H](C)C(=O)N3CCCC3

InChI

InChI=1S/C19H22N2O4S/c1-13-11-15(20-25-13)12-26-17-8-4-3-7-16(17)19(23)24-14(2)18(22)21-9-5-6-10-21/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3/t14-/m1/s1