S-[2-acetamido-1-[(Z)-4-bromanyl-1-[(4-methoxyphenyl)methoxy]-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-[(4-methoxyphenyl)methoxy]-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl] methanethioate Openeye Name: S-[2-acetamido-1-[(1Z)-3-bromo-1-[hydroxy-[(4-methoxyphenyl)methoxy]methylene]-2-oxo-propyl]-4-oxo-azetidin-2-yl] methanethioate CAS Name: methanethioic acid S-[2-acetamido-1-[(Z)-4-bromo-1-hydroxy-1-[(4-methoxyphenyl)methoxy]-3-oxobut-1-en-2-yl]-4-oxo-2-azetidinyl] ester IUPAC Name: S-[2-acetamido-1-[(Z)-4-bromo-1-hydroxy-1-[(4-methoxyphenyl)methoxy]-3-oxobut-1-en-2-yl]-4-oxoazetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[2-acetamido-1-[(Z)-1-(2-bromoacetyl)-2-hydroxy-2-p-anisyloxy-vinyl]-4-keto-azetidin-2-yl] ester Formula: C18H19BrN2O7S MolecularWeight: 487.32166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CC(=O)N1C(=C(O)OCC2=CC=C(C=C2)OC)C(=O)CBr)SC=O

Isomeric SMILES

CC(=O)NC1(CC(=O)N1/C(=C(/O)\OCC2=CC=C(C=C2)OC)/C(=O)CBr)SC=O

InChI

InChI=1S/C18H19BrN2O7S/c1-11(23)20-18(29-10-22)7-15(25)21(18)16(14(24)8-19)17(26)28-9-12-3-5-13(27-2)6-4-12/h3-6,10,26H,7-9H2,1-2H3,(H,20,23)/b17-16-