S-[1-[(Z)-4-bromanyl-1-oxidanyl-3-oxidanylidene-1-phenylmethoxy-but-1-en-2-yl]-3-formamido-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-formamido-4-oxidanylidene-azetidin-2-yl] methanethioate Openeye Name: S-[1-[(1Z)-1-[benzyloxy(hydroxy)methylene]-3-bromo-2-oxo-propyl]-3-formamido-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-formamido-4-oxo-2-azetidinyl] ester IUPAC Name: S-[1-[(Z)-4-bromo-1-hydroxy-3-oxo-1-phenylmethoxybut-1-en-2-yl]-3-formamido-4-oxoazetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[1-[(Z)-2-benzoxy-1-(2-bromoacetyl)-2-hydroxy-vinyl]-3-formamido-4-keto-azetidin-2-yl] ester Formula: C16H15BrN2O6S MolecularWeight: 443.2691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O6S/c17-6-11(22)13(16(24)25-7-10-4-2-1-3-5-10)19-14(23)12(18-8-20)15(19)26-9-21/h1-5,8-9,12,15,24H,6-7H2,(H,18,20)/b16-13-