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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC1=CC=C(C=C1)Cl)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC1=CC=C(C=C1)Cl)C(=O)OCC2=CC=CC=C2

InChI

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