(diphenylmethyl) 2-[(2R,3S)-3-chloranyl-2-methylsulfonyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: (diphenylmethyl) 2-[(2R,3S)-3-chloranyl-2-methylsulfonyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: benzhydryl 2-[(2R,3S)-3-chloro-2-methylsulfonyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[(2R,3S)-3-chloro-2-methylsulfonyl-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 2-[(2R,3S)-3-chloro-2-methylsulfonyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[(3S,4R)-3-chloro-2-keto-4-mesyl-azetidin-1-yl]-3-methyl-but-2-enoic acid benzhydryl ester Formula: C22H22ClNO5S MolecularWeight: 447.93178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(C(C3=O)Cl)S(=O)(=O)C)C

Isomeric SMILES

CC(=C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3[C@@H]([C@H](C3=O)Cl)S(=O)(=O)C)C

InChI

InChI=1S/C22H22ClNO5S/c1-14(2)18(24-20(25)17(23)21(24)30(3,27)28)22(26)29-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,19,21H,1-3H3/t17-,21+/m0/s1