(4-methoxyphenyl)methyl 2-[(2R,3S)-3-bromanyl-2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: (4-methoxyphenyl)methyl 2-[(2R,3S)-3-bromanyl-2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-methoxyphenyl)methyl 2-[(2R,3S)-2-acetylsulfanyl-3-bromo-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[(2R,3S)-2-(acetylthio)-3-bromo-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-[(2R,3S)-2-acetylsulfanyl-3-bromo-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[(2R,3S)-2-(acetylthio)-3-bromo-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid p-anisyl ester Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)OC)N2C(C(C2=O)Br)SC(=O)C

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)OC)N2[C@@H]([C@H](C2=O)Br)SC(=O)C

InChI

InChI=1S/C18H20BrNO5S/c1-10(2)15(20-16(22)14(19)17(20)26-11(3)21)18(23)25-9-12-5-7-13(24-4)8-6-12/h5-8,14-15,17H,1,9H2,2-4H3/t14-,15?,17+/m0/s1