[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=CC=CC=C2C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](OC1)CSC2=CC=CC=C2C(=O)O[C@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C23H25NO4S/c25-22(24-17-12-13-17)21(16-7-2-1-3-8-16)28-23(26)19-10-4-5-11-20(19)29-15-18-9-6-14-27-18/h1-5,7-8,10-11,17-18,21H,6,9,12-15H2,(H,24,25)/t18-,21-/m1/s1