(phenylmethyl) N-[1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate Openeye Name: benzyl N-[1-(benzylsulfanylmethyl)-2-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-1-oxo-3-(phenylmethylthio)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-benzylsulfanyl-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(benzylthio)methyl]-2-[(3-bromo-2-isoxazolin-5-yl)methylamino]-2-keto-ethyl]carbamic acid benzyl ester Formula: C22H24BrN3O4S MolecularWeight: 506.41266

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)CNC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C(ON=C1Br)CNC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24BrN3O4S/c23-20-11-18(30-26-20)12-24-21(27)19(15-31-14-17-9-5-2-6-10-17)25-22(28)29-13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,24,27)(H,25,28)