tert-butyl N-[(2R)-1-oxidanylidene-1-(phenethylamino)-3-pyridin-2-ylsulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-oxidanylidene-1-(phenethylamino)-3-pyridin-2-ylsulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-oxo-2-(phenethylamino)-1-(2-pyridylsulfanylmethyl)ethyl]carbamate CAS Name: N-[(2R)-1-oxo-1-(phenethylamino)-3-(2-pyridinylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-oxo-1-(phenethylamino)-3-pyridin-2-ylsulfanylpropan-2-yl]carbamate Traditional Name: N-[(1R)-2-keto-2-(phenethylamino)-1-[(2-pyridylthio)methyl]ethyl]carbamic acid tert-butyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=CC=CC=N1)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSC1=CC=CC=N1)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O3S/c1-21(2,3)27-20(26)24-17(15-28-18-11-7-8-13-22-18)19(25)23-14-12-16-9-5-4-6-10-16/h4-11,13,17H,12,14-15H2,1-3H3,(H,23,25)(H,24,26)/t17-/m0/s1