S-[1-[(Z)-4-bromanyl-1-oxidanyl-3-oxidanylidene-1-phenylmethoxy-but-1-en-2-yl]-3-[2-(3-bromanylphenoxy)ethanoylamino]-4-oxidanylidene-azetidin-2-yl] methanethioate

Systemtic Name: S-[1-[(Z)-4-bromanyl-1-oxidanyl-3-oxidanylidene-1-phenylmethoxy-but-1-en-2-yl]-3-[2-(3-bromanylphenoxy)ethanoylamino]-4-oxidanylidene-azetidin-2-yl] methanethioate Openeye Name: S-[1-[(1Z)-1-[benzyloxy(hydroxy)methylene]-3-bromo-2-oxo-propyl]-3-[[2-(3-bromophenoxy)acetyl]amino]-4-oxo-azetidin-2-yl] methanethioate CAS Name: methanethioic acid S-[1-[(Z)-4-bromo-1-hydroxy-3-oxo-1-phenylmethoxybut-1-en-2-yl]-3-[[2-(3-bromophenoxy)-1-oxoethyl]amino]-4-oxo-2-azetidinyl] ester IUPAC Name: S-[1-[(Z)-4-bromo-1-hydroxy-3-oxo-1-phenylmethoxybut-1-en-2-yl]-3-[[2-(3-bromophenoxy)acetyl]amino]-4-oxoazetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[1-[(Z)-2-benzoxy-1-(2-bromoacetyl)-2-hydroxy-vinyl]-3-[[2-(3-bromophenoxy)acetyl]amino]-4-keto-azetidin-2-yl] ester Formula: C23H20Br2N2O7S MolecularWeight: 628.2871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=C(C(=O)CBr)N2C(C(C2=O)NC(=O)COC3=CC(=CC=C3)Br)SC=O)O

Isomeric SMILES

C1=CC=C(C=C1)CO/C(=C(/C(=O)CBr)\N2C(C(C2=O)NC(=O)COC3=CC(=CC=C3)Br)SC=O)/O

InChI

InChI=1S/C23H20Br2N2O7S/c24-10-17(29)20(23(32)34-11-14-5-2-1-3-6-14)27-21(31)19(22(27)35-13-28)26-18(30)12-33-16-8-4-7-15(25)9-16/h1-9,13,19,22,32H,10-12H2,(H,26,30)/b23-20-