(phenylmethyl) 4-(2-chlorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (phenylmethyl) 4-(2-chlorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-4-(2-chlorophenyl)sulfanyl-butanoate CAS Name: 4-[(2-chlorophenyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-chlorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-[(2-chlorophenyl)thio]butyric acid benzyl ester Formula: C22H26ClNO4S MolecularWeight: 435.96414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC1=CC=CC=C1Cl)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC1=CC=CC=C1Cl)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26ClNO4S/c1-22(2,3)28-21(26)24-18(13-14-29-19-12-8-7-11-17(19)23)20(25)27-15-16-9-5-4-6-10-16/h4-12,18H,13-15H2,1-3H3,(H,24,26)