S-[2-acetamido-1-[(Z)-4-bromanyl-1-(diphenylmethyl)oxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl] methanethioate

Systemtic Name: S-[2-acetamido-1-[(Z)-4-bromanyl-1-(diphenylmethyl)oxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl] methanethioate Openeye Name: S-[2-acetamido-1-[(1Z)-1-[benzhydryloxy(hydroxy)methylene]-3-bromo-2-oxo-propyl]-4-oxo-azetidin-2-yl] methanethioate CAS Name: methanethioic acid S-[2-acetamido-1-[(Z)-4-bromo-1-(diphenylmethyl)oxy-1-hydroxy-3-oxobut-1-en-2-yl]-4-oxo-2-azetidinyl] ester IUPAC Name: S-[2-acetamido-1-[(Z)-1-benzhydryloxy-4-bromo-1-hydroxy-3-oxobut-1-en-2-yl]-4-oxoazetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[2-acetamido-1-[(Z)-2-benzhydryloxy-1-(2-bromoacetyl)-2-hydroxy-vinyl]-4-keto-azetidin-2-yl] ester Formula: C23H21BrN2O6S MolecularWeight: 533.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CC(=O)N1C(=C(O)OC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CBr)SC=O

Isomeric SMILES

CC(=O)NC1(CC(=O)N1/C(=C(/O)\OC(C2=CC=CC=C2)C3=CC=CC=C3)/C(=O)CBr)SC=O

InChI

InChI=1S/C23H21BrN2O6S/c1-15(28)25-23(33-14-27)12-19(30)26(23)20(18(29)13-24)22(31)32-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,21,31H,12-13H2,1H3,(H,25,28)/b22-20-