(phenylmethyl) 2-[(3S,4R)-3-chloranyl-2-oxidanylidene-4-prop-2-enylsulfonyl-azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: (phenylmethyl) 2-[(3S,4R)-3-chloranyl-2-oxidanylidene-4-prop-2-enylsulfonyl-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: benzyl 2-[(2R,3S)-2-allylsulfonyl-3-chloro-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[(3S,4R)-3-chloro-2-oxo-4-prop-2-enylsulfonyl-1-azetidinyl]-3-methyl-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3S,4R)-3-chloro-2-oxo-4-prop-2-enylsulfonylazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[(2R,3S)-2-allylsulfonyl-3-chloro-4-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)Cl)S(=O)(=O)CC=C)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=CC=C1)N2[C@@H]([C@H](C2=O)Cl)S(=O)(=O)CC=C)C

InChI

InChI=1S/C18H20ClNO5S/c1-4-10-26(23,24)17-14(19)16(21)20(17)15(12(2)3)18(22)25-11-13-8-6-5-7-9-13/h4-9,14,17H,1,10-11H2,2-3H3/t14-,17+/m0/s1