[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(2-acetamido-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(2-acetamido-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-(2-acetamido-2-chlorosulfinyl-4-oxo-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-(2-acetamido-2-chlorosulfinyl-4-oxo-1-azetidinyl)-3-methyl-3-butenoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-(2-acetamido-2-chlorosulfinyl-4-oxoazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-(2-acetamido-2-chlorosulfinyl-4-keto-azetidin-1-yl)-3-methyl-but-3-enoic acid phthalimidomethyl ester Formula: C19H18ClN3O7S MolecularWeight: 467.88012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)N3C(=O)CC3(NC(=O)C)S(=O)Cl

Isomeric SMILES

CC(=C)C(C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)N3C(=O)CC3(NC(=O)C)S(=O)Cl

InChI

InChI=1S/C19H18ClN3O7S/c1-10(2)15(23-14(25)8-19(23,31(20)29)21-11(3)24)18(28)30-9-22-16(26)12-6-4-5-7-13(12)17(22)27/h4-7,15H,1,8-9H2,2-3H3,(H,21,24)