[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OC(C3=CC=CC=C3)C(=O)N(C)C

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)O[C@H](C3=CC=CC=C3)C(=O)N(C)C

InChI

InChI=1S/C22H22N2O4S/c1-15-13-17(23-28-15)14-29-19-12-8-7-11-18(19)22(26)27-20(21(25)24(2)3)16-9-5-4-6-10-16/h4-13,20H,14H2,1-3H3/t20-/m1/s1