S-[1-[(Z)-4-bromanyl-1-oxidanyl-3-oxidanylidene-1-phenacyloxy-but-1-en-2-yl]-3-(2-fluoranylethanoylamino)-4-oxidanylidene-azetidin-2-yl] methanethioate

Systemtic Name: S-[1-[(Z)-4-bromanyl-1-oxidanyl-3-oxidanylidene-1-phenacyloxy-but-1-en-2-yl]-3-(2-fluoranylethanoylamino)-4-oxidanylidene-azetidin-2-yl] methanethioate Openeye Name: S-[1-[(1Z)-3-bromo-1-[hydroxy(phenacyloxy)methylene]-2-oxo-propyl]-3-[(2-fluoroacetyl)amino]-4-oxo-azetidin-2-yl] methanethioate CAS Name: methanethioic acid S-[1-[(Z)-4-bromo-1-hydroxy-3-oxo-1-phenacyloxybut-1-en-2-yl]-3-[(2-fluoro-1-oxoethyl)amino]-4-oxo-2-azetidinyl] ester IUPAC Name: S-[1-[(Z)-4-bromo-1-hydroxy-3-oxo-1-phenacyloxybut-1-en-2-yl]-3-[(2-fluoroacetyl)amino]-4-oxoazetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[1-[(Z)-1-(2-bromoacetyl)-2-hydroxy-2-phenacyloxy-vinyl]-3-[(2-fluoroacetyl)amino]-4-keto-azetidin-2-yl] ester Formula: C18H16BrFN2O7S MolecularWeight: 503.296243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrFN2O7S/c19-6-11(24)15(18(28)29-8-12(25)10-4-2-1-3-5-10)22-16(27)14(17(22)30-9-23)21-13(26)7-20/h1-5,9,14,17,28H,6-8H2,(H,21,26)/b18-15-