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

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OC(C)C(=O)NC3CCCC3

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)O[C@H](C)C(=O)NC3CCCC3

InChI

InChI=1S/C20H24N2O4S/c1-13-11-16(22-26-13)12-27-18-10-6-5-9-17(18)20(24)25-14(2)19(23)21-15-7-3-4-8-15/h5-6,9-11,14-15H,3-4,7-8,12H2,1-2H3,(H,21,23)/t14-/m1/s1