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

Systemtic Name: (4-nitrophenyl)methyl 2-[(2R,3S)-3-bromanyl-2-methanethioyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: (4-nitrophenyl)methyl 2-[(2R,3S)-3-bromo-2-methanethioyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[(2R,3S)-3-bromo-2-methanethioyl-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2R,3S)-3-bromo-2-methanethioyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[(3S,4R)-3-bromo-2-keto-4-thioformyl-azetidin-1-yl]-3-methyl-but-2-enoic acid (4-nitrobenzyl) ester Formula: C16H15BrN2O5S MolecularWeight: 427.2697

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)Br)C=S)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2[C@@H]([C@@H](C2=O)Br)C=S)C

InChI

InChI=1S/C16H15BrN2O5S/c1-9(2)14(18-12(8-25)13(17)15(18)20)16(21)24-7-10-3-5-11(6-4-10)19(22)23/h3-6,8,12-13H,7H2,1-2H3/t12-,13+/m1/s1