S-[3-[2-[[1-[(Z)-4-bromanyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-2-oxidanylidene-azetidin-3-yl]amino]-2-oxidanylidene-ethyl]phenyl] methanethioate

Systemtic Name: S-[3-[2-[[1-[(Z)-4-bromanyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-2-oxidanylidene-azetidin-3-yl]amino]-2-oxidanylidene-ethyl]phenyl] methanethioate Openeye Name: S-[3-[2-[[1-[(1Z)-3-bromo-1-[tert-butoxy(hydroxy)methylene]-2-oxo-propyl]-2-oxo-azetidin-3-yl]amino]-2-oxo-ethyl]phenyl] methanethioate CAS Name: methanethioic acid S-[3-[2-[[1-[(Z)-4-bromo-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]-3-oxobut-1-en-2-yl]-2-oxo-3-azetidinyl]amino]-2-oxoethyl]phenyl] ester IUPAC Name: S-[3-[2-[[1-[(Z)-4-bromo-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]-3-oxobut-1-en-2-yl]-2-oxoazetidin-3-yl]amino]-2-oxoethyl]phenyl] methanethioate Traditional Name: methanethioic acid S-[3-[2-[[1-[(Z)-1-(2-bromoacetyl)-2-tert-butoxy-2-hydroxy-vinyl]-2-keto-azetidin-3-yl]amino]-2-keto-ethyl]phenyl] ester Formula: C20H23BrN2O6S MolecularWeight: 499.37542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=C(C(=O)CBr)N1CC(C1=O)NC(=O)CC2=CC(=CC=C2)SC=O)O

Isomeric SMILES

CC(C)(C)O/C(=C(/C(=O)CBr)\N1CC(C1=O)NC(=O)CC2=CC(=CC=C2)SC=O)/O

InChI

InChI=1S/C20H23BrN2O6S/c1-20(2,3)29-19(28)17(15(25)9-21)23-10-14(18(23)27)22-16(26)8-12-5-4-6-13(7-12)30-11-24/h4-7,11,14,28H,8-10H2,1-3H3,(H,22,26)/b19-17-