(4-methoxyphenyl)methyl 2-(3-bromanyl-2-methanoylsulfanyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-2-enoate

Systemtic Name: (4-methoxyphenyl)methyl 2-(3-bromanyl-2-methanoylsulfanyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-2-enoate Openeye Name: (4-methoxyphenyl)methyl 2-(3-bromo-2-formylsulfanyl-4-oxo-azetidin-1-yl)-3-methyl-but-2-enoate CAS Name: 2-[3-bromo-2-(formylthio)-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-(3-bromo-2-formylsulfanyl-4-oxoazetidin-1-yl)-3-methylbut-2-enoate Traditional Name: 2-[3-bromo-2-(formylthio)-4-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid p-anisyl ester Formula: C17H18BrNO5S MolecularWeight: 428.29752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO5S/c1-10(2)14(19-15(21)13(18)16(19)25-9-20)17(22)24-8-11-4-6-12(23-3)7-5-11/h4-7,9,13,16H,8H2,1-3H3