tert-butyl N-[(2R)-3-(4-chlorophenyl)sulfanyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-3-(4-chlorophenyl)sulfanyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-[(4-chlorophenyl)sulfanylmethyl]-2-oxo-2-(phenethylamino)ethyl]carbamate CAS Name: N-[(2R)-3-[(4-chlorophenyl)thio]-1-oxo-1-(phenethylamino)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-3-(4-chlorophenyl)sulfanyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamate Traditional Name: N-[(1R)-1-[[(4-chlorophenyl)thio]methyl]-2-keto-2-(phenethylamino)ethyl]carbamic acid tert-butyl ester Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=CC=C(C=C1)Cl)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSC1=CC=C(C=C1)Cl)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H27ClN2O3S/c1-22(2,3)28-21(27)25-19(15-29-18-11-9-17(23)10-12-18)20(26)24-14-13-16-7-5-4-6-8-16/h4-12,19H,13-15H2,1-3H3,(H,24,26)(H,25,27)/t19-/m0/s1