S-[1-[(Z)-4-bromanyl-1-oxidanyl-3-oxidanylidene-1-phenylmethoxy-but-1-en-2-yl]-3-[ethanoyl(thiophen-2-yl)amino]-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-[ethanoyl(thiophen-2-yl)amino]-4-oxidanylidene-azetidin-2-yl] methanethioate Openeye Name: S-[3-[acetyl(2-thienyl)amino]-1-[(1Z)-1-[benzyloxy(hydroxy)methylene]-3-bromo-2-oxo-propyl]-4-oxo-azetidin-2-yl] methanethioate CAS Name: methanethioic acid S-[3-[acetyl(thiophen-2-yl)amino]-1-[(Z)-4-bromo-1-hydroxy-3-oxo-1-phenylmethoxybut-1-en-2-yl]-4-oxo-2-azetidinyl] ester IUPAC Name: S-[3-[acetyl(thiophen-2-yl)amino]-1-[(Z)-4-bromo-1-hydroxy-3-oxo-1-phenylmethoxybut-1-en-2-yl]-4-oxoazetidin-2-yl] methanethioate Traditional Name: methanethioic acid S-[3-[acetyl(2-thienyl)amino]-1-[(Z)-2-benzoxy-1-(2-bromoacetyl)-2-hydroxy-vinyl]-4-keto-azetidin-2-yl] ester Formula: C21H19BrN2O6S2 MolecularWeight: 539.41936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C(N(C1=O)C(=C(O)OCC2=CC=CC=C2)C(=O)CBr)SC=O)C3=CC=CS3

Isomeric SMILES

CC(=O)N(C1C(N(C1=O)/C(=C(/O)\OCC2=CC=CC=C2)/C(=O)CBr)SC=O)C3=CC=CS3

InChI

InChI=1S/C21H19BrN2O6S2/c1-13(26)23(16-8-5-9-31-16)18-19(28)24(20(18)32-12-25)17(15(27)10-22)21(29)30-11-14-6-3-2-4-7-14/h2-9,12,18,20,29H,10-11H2,1H3/b21-17-