(phenylmethyl) 2-(3-benzamido-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate

Systemtic Name: (phenylmethyl) 2-(3-benzamido-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate Openeye Name: benzyl 2-(3-benzamido-2-chlorosulfinyl-4-oxo-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-(3-benzamido-2-chlorosulfinyl-4-oxo-1-azetidinyl)-3-methyl-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-benzamido-2-chlorosulfinyl-4-oxoazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-(3-benzamido-2-chlorosulfinyl-4-keto-azetidin-1-yl)-3-methyl-but-3-enoic acid benzyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)C3=CC=CC=C3)S(=O)Cl

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)C3=CC=CC=C3)S(=O)Cl

InChI

InChI=1S/C22H21ClN2O5S/c1-14(2)18(22(28)30-13-15-9-5-3-6-10-15)25-20(27)17(21(25)31(23)29)24-19(26)16-11-7-4-8-12-16/h3-12,17-18,21H,1,13H2,2H3,(H,24,26)