[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=CC=C2SCC3CCCO3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=CC=C2SC[C@H]3CCCO3

InChI

InChI=1S/C22H25NO4S/c1-16-7-2-3-8-17(16)13-23-21(24)14-27-22(25)19-10-4-5-11-20(19)28-15-18-9-6-12-26-18/h2-5,7-8,10-11,18H,6,9,12-15H2,1H3,(H,23,24)/t18-/m1/s1