[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-2-[[(1R)-3-methyl-1-phenyl-butyl]amino]ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H24N2O4S/c1-15(2)12-18(16-8-4-3-5-9-16)23-20(25)13-27-21(26)14-29-22-24-17-10-6-7-11-19(17)28-22/h3-11,15,18H,12-14H2,1-2H3,(H,23,25)/t18-/m1/s1