methyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-4-oxidanylidene-azetidin-3-yl]-3-methyl-3-sulfanyl-butanoate

Systemtic Name: methyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-4-oxidanylidene-azetidin-3-yl]-3-methyl-3-sulfanyl-butanoate Openeye Name: methyl 2-[2-chloro-3-(1,3-dioxoisoindolin-2-yl)-4-oxo-azetidin-3-yl]-3-methyl-3-sulfanyl-butanoate CAS Name: 2-[2-chloro-3-(1,3-dioxo-2-isoindolyl)-4-oxo-3-azetidinyl]-3-mercapto-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[2-chloro-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-3-yl]-3-methyl-3-sulfanylbutanoate Traditional Name: 2-(2-chloro-4-keto-3-phthalimido-azetidin-3-yl)-3-mercapto-3-methyl-butyric acid methyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)C1(C(NC1=O)Cl)N2C(=O)C3=CC=CC=C3C2=O)S

Isomeric SMILES

CC(C)(C(C(=O)OC)C1(C(NC1=O)Cl)N2C(=O)C3=CC=CC=C3C2=O)S

InChI

InChI=1S/C17H17ClN2O5S/c1-16(2,26)10(13(23)25-3)17(14(18)19-15(17)24)20-11(21)8-6-4-5-7-9(8)12(20)22/h4-7,10,14,26H,1-3H3,(H,19,24)